data_19431 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19431 _Entry.Title ; NMR structure of hypothetical protein RUMGNA_01855 from Ruminococcus gnavus ATCC 29149 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-21 _Entry.Accession_date 2013-08-21 _Entry.Last_release_date 2013-10-21 _Entry.Original_release_date 2013-10-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samit Dutta . K. . 19431 2 Pedro Serrano . . . 19431 3 Michael Geralt . . . 19431 4 Kurt Wuthrich . . . 19431 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 19431 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'human gut microbiome secreted protein' . 19431 'hypothetical protein' . 19431 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19431 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 801 19431 '13C chemical shifts' 398 19431 '15N chemical shifts' 121 19431 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-10-21 2013-08-16 original author . 19431 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4HYZ 'Crystal structure of the protein at 2.25 A resolution' 19431 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19431 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of a hypothetical protein RUMGNA_01855 from Ruminococcus gnavus ATCC 29149' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samit Dutta . K. . 19431 1 2 Pedro Serrano . . . 19431 1 3 Michael Geralt . . . 19431 1 4 Kurt Wuthrich . . . 19431 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19431 _Assembly.ID 1 _Assembly.Name 'hypothetical protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hypothetical protein' 1 $entity A . yes native no no . . . 19431 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19431 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEILKELPEGFDKETVRKQA MEDIEIAQSKDYESWKSRFT KDLQSSLTEESYDSYLKILE KQGEFKEFGKCTYLGQIKDN KKYGGVIIVVKYEEGNVNYS LAYDEDMNLVSFTM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13280.990 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MC8 . "Nmr Structure Of Protein Rumgna_01855 From Ruminococcus Gnavus Atcc 29149" . . . . . 100.00 114 100.00 100.00 1.38e-74 . . . . 19431 1 2 no PDB 4HYZ . "Crystal Structure Of A Hypothetical Protein (Rumgna_01855) From Ruminococcus Gnavus Atcc 29149 At 2.25 A Resolution" . . . . . 99.12 114 98.23 98.23 1.92e-71 . . . . 19431 1 3 no EMBL CCZ66509 . "putative uncharacterized protein [Ruminococcus gnavus CAG:126]" . . . . . 100.00 149 98.25 99.12 3.88e-73 . . . . 19431 1 4 no EMBL CUO03677 . "Uncharacterised protein [[Ruminococcus] gnavus]" . . . . . 100.00 149 99.12 100.00 6.15e-74 . . . . 19431 1 5 no GB EDN77700 . "hypothetical protein RUMGNA_01855 [Ruminococcus gnavus ATCC 29149]" . . . . . 100.00 149 100.00 100.00 1.74e-74 . . . . 19431 1 6 no GB EGN48378 . "hypothetical protein HMPREF0991_01258 [Lachnospiraceae bacterium 2_1_58FAA]" . . . . . 100.00 149 100.00 100.00 1.74e-74 . . . . 19431 1 7 no GB ETD20298 . "hypothetical protein HMPREF1201_00295 [Ruminococcus gnavus CC55_001C]" . . . . . 100.00 149 100.00 100.00 1.74e-74 . . . . 19431 1 8 no REF WP_004842842 . "hypothetical protein [[Ruminococcus] gnavus]" . . . . . 100.00 149 100.00 100.00 1.74e-74 . . . . 19431 1 9 no REF WP_022038064 . "hypothetical protein [[Ruminococcus] gnavus]" . . . . . 100.00 149 98.25 99.12 3.88e-73 . . . . 19431 1 10 no REF WP_055168981 . "hypothetical protein [[Ruminococcus] gnavus]" . . . . . 100.00 149 99.12 100.00 6.15e-74 . . . . 19431 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19431 1 2 . GLU . 19431 1 3 . ILE . 19431 1 4 . LEU . 19431 1 5 . LYS . 19431 1 6 . GLU . 19431 1 7 . LEU . 19431 1 8 . PRO . 19431 1 9 . GLU . 19431 1 10 . GLY . 19431 1 11 . PHE . 19431 1 12 . ASP . 19431 1 13 . LYS . 19431 1 14 . GLU . 19431 1 15 . THR . 19431 1 16 . VAL . 19431 1 17 . ARG . 19431 1 18 . LYS . 19431 1 19 . GLN . 19431 1 20 . ALA . 19431 1 21 . MET . 19431 1 22 . GLU . 19431 1 23 . ASP . 19431 1 24 . ILE . 19431 1 25 . GLU . 19431 1 26 . ILE . 19431 1 27 . ALA . 19431 1 28 . GLN . 19431 1 29 . SER . 19431 1 30 . LYS . 19431 1 31 . ASP . 19431 1 32 . TYR . 19431 1 33 . GLU . 19431 1 34 . SER . 19431 1 35 . TRP . 19431 1 36 . LYS . 19431 1 37 . SER . 19431 1 38 . ARG . 19431 1 39 . PHE . 19431 1 40 . THR . 19431 1 41 . LYS . 19431 1 42 . ASP . 19431 1 43 . LEU . 19431 1 44 . GLN . 19431 1 45 . SER . 19431 1 46 . SER . 19431 1 47 . LEU . 19431 1 48 . THR . 19431 1 49 . GLU . 19431 1 50 . GLU . 19431 1 51 . SER . 19431 1 52 . TYR . 19431 1 53 . ASP . 19431 1 54 . SER . 19431 1 55 . TYR . 19431 1 56 . LEU . 19431 1 57 . LYS . 19431 1 58 . ILE . 19431 1 59 . LEU . 19431 1 60 . GLU . 19431 1 61 . LYS . 19431 1 62 . GLN . 19431 1 63 . GLY . 19431 1 64 . GLU . 19431 1 65 . PHE . 19431 1 66 . LYS . 19431 1 67 . GLU . 19431 1 68 . PHE . 19431 1 69 . GLY . 19431 1 70 . LYS . 19431 1 71 . CYS . 19431 1 72 . THR . 19431 1 73 . TYR . 19431 1 74 . LEU . 19431 1 75 . GLY . 19431 1 76 . GLN . 19431 1 77 . ILE . 19431 1 78 . LYS . 19431 1 79 . ASP . 19431 1 80 . ASN . 19431 1 81 . LYS . 19431 1 82 . LYS . 19431 1 83 . TYR . 19431 1 84 . GLY . 19431 1 85 . GLY . 19431 1 86 . VAL . 19431 1 87 . ILE . 19431 1 88 . ILE . 19431 1 89 . VAL . 19431 1 90 . VAL . 19431 1 91 . LYS . 19431 1 92 . TYR . 19431 1 93 . GLU . 19431 1 94 . GLU . 19431 1 95 . GLY . 19431 1 96 . ASN . 19431 1 97 . VAL . 19431 1 98 . ASN . 19431 1 99 . TYR . 19431 1 100 . SER . 19431 1 101 . LEU . 19431 1 102 . ALA . 19431 1 103 . TYR . 19431 1 104 . ASP . 19431 1 105 . GLU . 19431 1 106 . ASP . 19431 1 107 . MET . 19431 1 108 . ASN . 19431 1 109 . LEU . 19431 1 110 . VAL . 19431 1 111 . SER . 19431 1 112 . PHE . 19431 1 113 . THR . 19431 1 114 . MET . 19431 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19431 1 . GLU 2 2 19431 1 . ILE 3 3 19431 1 . LEU 4 4 19431 1 . LYS 5 5 19431 1 . GLU 6 6 19431 1 . LEU 7 7 19431 1 . PRO 8 8 19431 1 . GLU 9 9 19431 1 . GLY 10 10 19431 1 . PHE 11 11 19431 1 . ASP 12 12 19431 1 . LYS 13 13 19431 1 . GLU 14 14 19431 1 . THR 15 15 19431 1 . VAL 16 16 19431 1 . ARG 17 17 19431 1 . LYS 18 18 19431 1 . GLN 19 19 19431 1 . ALA 20 20 19431 1 . MET 21 21 19431 1 . GLU 22 22 19431 1 . ASP 23 23 19431 1 . ILE 24 24 19431 1 . GLU 25 25 19431 1 . ILE 26 26 19431 1 . ALA 27 27 19431 1 . GLN 28 28 19431 1 . SER 29 29 19431 1 . LYS 30 30 19431 1 . ASP 31 31 19431 1 . TYR 32 32 19431 1 . GLU 33 33 19431 1 . SER 34 34 19431 1 . TRP 35 35 19431 1 . LYS 36 36 19431 1 . SER 37 37 19431 1 . ARG 38 38 19431 1 . PHE 39 39 19431 1 . THR 40 40 19431 1 . LYS 41 41 19431 1 . ASP 42 42 19431 1 . LEU 43 43 19431 1 . GLN 44 44 19431 1 . SER 45 45 19431 1 . SER 46 46 19431 1 . LEU 47 47 19431 1 . THR 48 48 19431 1 . GLU 49 49 19431 1 . GLU 50 50 19431 1 . SER 51 51 19431 1 . TYR 52 52 19431 1 . ASP 53 53 19431 1 . SER 54 54 19431 1 . TYR 55 55 19431 1 . LEU 56 56 19431 1 . LYS 57 57 19431 1 . ILE 58 58 19431 1 . LEU 59 59 19431 1 . GLU 60 60 19431 1 . LYS 61 61 19431 1 . GLN 62 62 19431 1 . GLY 63 63 19431 1 . GLU 64 64 19431 1 . PHE 65 65 19431 1 . LYS 66 66 19431 1 . GLU 67 67 19431 1 . PHE 68 68 19431 1 . GLY 69 69 19431 1 . LYS 70 70 19431 1 . CYS 71 71 19431 1 . THR 72 72 19431 1 . TYR 73 73 19431 1 . LEU 74 74 19431 1 . GLY 75 75 19431 1 . GLN 76 76 19431 1 . ILE 77 77 19431 1 . LYS 78 78 19431 1 . ASP 79 79 19431 1 . ASN 80 80 19431 1 . LYS 81 81 19431 1 . LYS 82 82 19431 1 . TYR 83 83 19431 1 . GLY 84 84 19431 1 . GLY 85 85 19431 1 . VAL 86 86 19431 1 . ILE 87 87 19431 1 . ILE 88 88 19431 1 . VAL 89 89 19431 1 . VAL 90 90 19431 1 . LYS 91 91 19431 1 . TYR 92 92 19431 1 . GLU 93 93 19431 1 . GLU 94 94 19431 1 . GLY 95 95 19431 1 . ASN 96 96 19431 1 . VAL 97 97 19431 1 . ASN 98 98 19431 1 . TYR 99 99 19431 1 . SER 100 100 19431 1 . LEU 101 101 19431 1 . ALA 102 102 19431 1 . TYR 103 103 19431 1 . ASP 104 104 19431 1 . GLU 105 105 19431 1 . ASP 106 106 19431 1 . MET 107 107 19431 1 . ASN 108 108 19431 1 . LEU 109 109 19431 1 . VAL 110 110 19431 1 . SER 111 111 19431 1 . PHE 112 112 19431 1 . THR 113 113 19431 1 . MET 114 114 19431 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19431 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 411470 organism . 'Ruminococcus gnavus ATCC 29149' 'Ruminococcus gnavus ATCC 29149' . . Bacteria . Blautia 'Ruminococcus gnavus' . . . . . . . . . . . . . . . . . . . . . 19431 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19431 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . SpeedET . . . . . . 19431 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19431 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19431 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19431 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19431 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19431 1 5 D2O '[U-99% 2H]' . . . . . . 95 . . % . . . . 19431 1 6 H2O 'natural abundance' . . . . . . 5 . . % . . . . 19431 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19431 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K 19431 1 pH 6.0 . pH 19431 1 pressure 1 . atm 19431 1 'ionic strength' 0.0798 . M 19431 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19431 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 19431 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19431 1 stop_ save_ save_j-UNIO _Software.Sf_category software _Software.Sf_framecode j-UNIO _Software.Entry_ID 19431 _Software.ID 2 _Software.Name j-UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19431 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19431 2 'structure solution' 19431 2 'chemical shift assignment' 19431 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19431 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19431 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19431 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19431 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19431 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19431 4 'data analysis' 19431 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19431 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19431 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19431 5 processing 19431 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19431 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19431 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19431 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19431 1 2 spectrometer_2 Bruker Avance . 800 . . . 19431 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19431 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19431 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19431 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19431 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19431 1 5 '4D APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19431 1 6 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19431 1 7 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19431 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19431 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19431 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19431 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19431 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19431 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19431 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.172 _Assigned_chem_shift_list.Chem_shift_15N_err 0.125 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19431 1 3 '3D 1H-13C NOESY aromatic' 1 $sample_1 . 19431 1 4 '3D 1H-15N NOESY' 1 $sample_1 . 19431 1 5 '4D APSY HACANH' 1 $sample_1 . 19431 1 6 '5D APSY HACACONH' 1 $sample_1 . 19431 1 7 '5D APSY CBCACONH' 1 $sample_1 . 19431 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.446 0.007 . 1 . . . A 2 GLU HA . 19431 1 2 . 1 1 2 2 GLU HB2 H 1 1.849 0.007 . 2 . . . A 2 GLU HB2 . 19431 1 3 . 1 1 2 2 GLU HB3 H 1 1.995 0.007 . 2 . . . A 2 GLU HB3 . 19431 1 4 . 1 1 2 2 GLU HG2 H 1 2.143 0.007 . 2 . . . A 2 GLU HG2 . 19431 1 5 . 1 1 2 2 GLU HG3 H 1 2.187 0.007 . 2 . . . A 2 GLU HG3 . 19431 1 6 . 1 1 2 2 GLU CA C 13 53.359 0.172 . 1 . . . A 2 GLU CA . 19431 1 7 . 1 1 2 2 GLU CB C 13 29.108 0.172 . 1 . . . A 2 GLU CB . 19431 1 8 . 1 1 2 2 GLU CG C 13 33.418 0.172 . 1 . . . A 2 GLU CG . 19431 1 9 . 1 1 3 3 ILE H H 1 8.436 0.007 . 1 . . . A 3 ILE H . 19431 1 10 . 1 1 3 3 ILE HA H 1 4.358 0.007 . 1 . . . A 3 ILE HA . 19431 1 11 . 1 1 3 3 ILE HB H 1 1.790 0.007 . 1 . . . A 3 ILE HB . 19431 1 12 . 1 1 3 3 ILE HG12 H 1 1.149 0.007 . 2 . . . A 3 ILE HG12 . 19431 1 13 . 1 1 3 3 ILE HG13 H 1 1.441 0.007 . 2 . . . A 3 ILE HG13 . 19431 1 14 . 1 1 3 3 ILE HG21 H 1 0.864 0.007 . 1 . . . A 3 ILE HG21 . 19431 1 15 . 1 1 3 3 ILE HG22 H 1 0.864 0.007 . 1 . . . A 3 ILE HG22 . 19431 1 16 . 1 1 3 3 ILE HG23 H 1 0.864 0.007 . 1 . . . A 3 ILE HG23 . 19431 1 17 . 1 1 3 3 ILE HD11 H 1 0.723 0.007 . 1 . . . A 3 ILE HD11 . 19431 1 18 . 1 1 3 3 ILE HD12 H 1 0.723 0.007 . 1 . . . A 3 ILE HD12 . 19431 1 19 . 1 1 3 3 ILE HD13 H 1 0.723 0.007 . 1 . . . A 3 ILE HD13 . 19431 1 20 . 1 1 3 3 ILE CA C 13 57.727 0.172 . 1 . . . A 3 ILE CA . 19431 1 21 . 1 1 3 3 ILE CB C 13 35.665 0.172 . 1 . . . A 3 ILE CB . 19431 1 22 . 1 1 3 3 ILE CG1 C 13 24.801 0.172 . 1 . . . A 3 ILE CG1 . 19431 1 23 . 1 1 3 3 ILE CG2 C 13 15.306 0.172 . 1 . . . A 3 ILE CG2 . 19431 1 24 . 1 1 3 3 ILE CD1 C 13 9.384 0.172 . 1 . . . A 3 ILE CD1 . 19431 1 25 . 1 1 3 3 ILE N N 15 123.144 0.125 . 1 . . . A 3 ILE N . 19431 1 26 . 1 1 4 4 LEU H H 1 8.743 0.007 . 1 . . . A 4 LEU H . 19431 1 27 . 1 1 4 4 LEU HA H 1 4.554 0.007 . 1 . . . A 4 LEU HA . 19431 1 28 . 1 1 4 4 LEU HB2 H 1 1.574 0.007 . 1 . . . A 4 LEU HB2 . 19431 1 29 . 1 1 4 4 LEU HB3 H 1 1.574 0.007 . 1 . . . A 4 LEU QB . 19431 1 30 . 1 1 4 4 LEU HG H 1 1.520 0.007 . 1 . . . A 4 LEU HG . 19431 1 31 . 1 1 4 4 LEU HD11 H 1 0.764 0.007 . 2 . . . A 4 LEU HD11 . 19431 1 32 . 1 1 4 4 LEU HD12 H 1 0.764 0.007 . 2 . . . A 4 LEU HD12 . 19431 1 33 . 1 1 4 4 LEU HD13 H 1 0.764 0.007 . 2 . . . A 4 LEU HD13 . 19431 1 34 . 1 1 4 4 LEU HD21 H 1 0.773 0.007 . 1 . . . A 4 LEU HD21 . 19431 1 35 . 1 1 4 4 LEU HD22 H 1 0.773 0.007 . 1 . . . A 4 LEU HD22 . 19431 1 36 . 1 1 4 4 LEU HD23 H 1 0.773 0.007 . 1 . . . A 4 LEU HD23 . 19431 1 37 . 1 1 4 4 LEU CA C 13 51.011 0.172 . 1 . . . A 4 LEU CA . 19431 1 38 . 1 1 4 4 LEU CB C 13 41.209 0.172 . 1 . . . A 4 LEU CB . 19431 1 39 . 1 1 4 4 LEU CG C 13 24.816 0.172 . 1 . . . A 4 LEU CG . 19431 1 40 . 1 1 4 4 LEU CD1 C 13 20.243 0.172 . 2 . . . A 4 LEU CD1 . 19431 1 41 . 1 1 4 4 LEU CD2 C 13 22.587 0.172 . 2 . . . A 4 LEU CD2 . 19431 1 42 . 1 1 4 4 LEU N N 15 127.461 0.125 . 1 . . . A 4 LEU N . 19431 1 43 . 1 1 5 5 LYS H H 1 8.623 0.007 . 1 . . . A 5 LYS H . 19431 1 44 . 1 1 5 5 LYS HA H 1 4.436 0.007 . 1 . . . A 5 LYS HA . 19431 1 45 . 1 1 5 5 LYS HB2 H 1 1.997 0.007 . 2 . . . A 5 LYS HB2 . 19431 1 46 . 1 1 5 5 LYS HB3 H 1 1.671 0.007 . 2 . . . A 5 LYS HB3 . 19431 1 47 . 1 1 5 5 LYS HG2 H 1 1.446 0.007 . 2 . . . A 5 LYS HG2 . 19431 1 48 . 1 1 5 5 LYS HG3 H 1 1.359 0.007 . 2 . . . A 5 LYS HG3 . 19431 1 49 . 1 1 5 5 LYS HD2 H 1 1.646 0.007 . 1 . . . A 5 LYS HD2 . 19431 1 50 . 1 1 5 5 LYS HD3 H 1 1.646 0.007 . 1 . . . A 5 LYS QD . 19431 1 51 . 1 1 5 5 LYS HE2 H 1 2.943 0.007 . 1 . . . A 5 LYS HE2 . 19431 1 52 . 1 1 5 5 LYS HE3 H 1 2.943 0.007 . 1 . . . A 5 LYS QE . 19431 1 53 . 1 1 5 5 LYS CA C 13 53.150 0.172 . 1 . . . A 5 LYS CA . 19431 1 54 . 1 1 5 5 LYS CB C 13 29.359 0.172 . 1 . . . A 5 LYS CB . 19431 1 55 . 1 1 5 5 LYS CG C 13 22.402 0.172 . 1 . . . A 5 LYS CG . 19431 1 56 . 1 1 5 5 LYS CD C 13 26.522 0.172 . 1 . . . A 5 LYS CD . 19431 1 57 . 1 1 5 5 LYS CE C 13 39.688 0.172 . 1 . . . A 5 LYS CE . 19431 1 58 . 1 1 5 5 LYS N N 15 121.611 0.125 . 1 . . . A 5 LYS N . 19431 1 59 . 1 1 6 6 GLU H H 1 7.301 0.007 . 1 . . . A 6 GLU H . 19431 1 60 . 1 1 6 6 GLU HA H 1 4.269 0.007 . 1 . . . A 6 GLU HA . 19431 1 61 . 1 1 6 6 GLU HB2 H 1 2.017 0.007 . 2 . . . A 6 GLU HB2 . 19431 1 62 . 1 1 6 6 GLU HB3 H 1 1.990 0.007 . 2 . . . A 6 GLU HB3 . 19431 1 63 . 1 1 6 6 GLU HG2 H 1 2.037 0.007 . 2 . . . A 6 GLU HG2 . 19431 1 64 . 1 1 6 6 GLU HG3 H 1 2.080 0.007 . 2 . . . A 6 GLU HG3 . 19431 1 65 . 1 1 6 6 GLU CA C 13 51.331 0.172 . 1 . . . A 6 GLU CA . 19431 1 66 . 1 1 6 6 GLU CB C 13 29.583 0.172 . 1 . . . A 6 GLU CB . 19431 1 67 . 1 1 6 6 GLU CG C 13 32.699 0.172 . 1 . . . A 6 GLU CG . 19431 1 68 . 1 1 6 6 GLU N N 15 115.825 0.125 . 1 . . . A 6 GLU N . 19431 1 69 . 1 1 7 7 LEU H H 1 8.501 0.007 . 1 . . . A 7 LEU H . 19431 1 70 . 1 1 7 7 LEU HA H 1 4.311 0.007 . 1 . . . A 7 LEU HA . 19431 1 71 . 1 1 7 7 LEU HB2 H 1 1.490 0.007 . 2 . . . A 7 LEU HB2 . 19431 1 72 . 1 1 7 7 LEU HB3 H 1 1.342 0.007 . 2 . . . A 7 LEU HB3 . 19431 1 73 . 1 1 7 7 LEU HG H 1 1.692 0.007 . 1 . . . A 7 LEU HG . 19431 1 74 . 1 1 7 7 LEU HD11 H 1 0.625 0.007 . 2 . . . A 7 LEU HD11 . 19431 1 75 . 1 1 7 7 LEU HD12 H 1 0.625 0.007 . 2 . . . A 7 LEU HD12 . 19431 1 76 . 1 1 7 7 LEU HD13 H 1 0.625 0.007 . 2 . . . A 7 LEU HD13 . 19431 1 77 . 1 1 7 7 LEU HD21 H 1 0.992 0.007 . 2 . . . A 7 LEU HD21 . 19431 1 78 . 1 1 7 7 LEU HD22 H 1 0.992 0.007 . 2 . . . A 7 LEU HD22 . 19431 1 79 . 1 1 7 7 LEU HD23 H 1 0.992 0.007 . 2 . . . A 7 LEU HD23 . 19431 1 80 . 1 1 7 7 LEU CA C 13 50.182 0.172 . 1 . . . A 7 LEU CA . 19431 1 81 . 1 1 7 7 LEU CB C 13 39.422 0.172 . 1 . . . A 7 LEU CB . 19431 1 82 . 1 1 7 7 LEU CG C 13 24.203 0.172 . 1 . . . A 7 LEU CG . 19431 1 83 . 1 1 7 7 LEU CD1 C 13 23.346 0.172 . 2 . . . A 7 LEU CD1 . 19431 1 84 . 1 1 7 7 LEU CD2 C 13 21.838 0.172 . 2 . . . A 7 LEU CD2 . 19431 1 85 . 1 1 7 7 LEU N N 15 118.967 0.125 . 1 . . . A 7 LEU N . 19431 1 86 . 1 1 8 8 PRO HA H 1 4.432 0.007 . 1 . . . A 8 PRO HA . 19431 1 87 . 1 1 8 8 PRO HB2 H 1 1.883 0.007 . 2 . . . A 8 PRO HB2 . 19431 1 88 . 1 1 8 8 PRO HB3 H 1 2.278 0.007 . 2 . . . A 8 PRO HB3 . 19431 1 89 . 1 1 8 8 PRO HG2 H 1 1.708 0.007 . 2 . . . A 8 PRO HG2 . 19431 1 90 . 1 1 8 8 PRO HG3 H 1 1.772 0.007 . 2 . . . A 8 PRO HG3 . 19431 1 91 . 1 1 8 8 PRO HD2 H 1 2.971 0.007 . 2 . . . A 8 PRO HD2 . 19431 1 92 . 1 1 8 8 PRO HD3 H 1 3.975 0.007 . 2 . . . A 8 PRO HD3 . 19431 1 93 . 1 1 8 8 PRO CA C 13 59.119 0.172 . 1 . . . A 8 PRO CA . 19431 1 94 . 1 1 8 8 PRO CB C 13 29.306 0.172 . 1 . . . A 8 PRO CB . 19431 1 95 . 1 1 8 8 PRO CG C 13 25.049 0.172 . 1 . . . A 8 PRO CG . 19431 1 96 . 1 1 8 8 PRO CD C 13 48.008 0.172 . 1 . . . A 8 PRO CD . 19431 1 97 . 1 1 9 9 GLU H H 1 8.534 0.007 . 1 . . . A 9 GLU H . 19431 1 98 . 1 1 9 9 GLU HA H 1 4.033 0.007 . 1 . . . A 9 GLU HA . 19431 1 99 . 1 1 9 9 GLU HB2 H 1 1.864 0.007 . 1 . . . A 9 GLU HB2 . 19431 1 100 . 1 1 9 9 GLU HB3 H 1 1.864 0.007 . 1 . . . A 9 GLU QB . 19431 1 101 . 1 1 9 9 GLU HG2 H 1 2.257 0.007 . 1 . . . A 9 GLU HG2 . 19431 1 102 . 1 1 9 9 GLU HG3 H 1 2.257 0.007 . 1 . . . A 9 GLU QG . 19431 1 103 . 1 1 9 9 GLU CA C 13 55.281 0.172 . 1 . . . A 9 GLU CA . 19431 1 104 . 1 1 9 9 GLU CB C 13 26.864 0.172 . 1 . . . A 9 GLU CB . 19431 1 105 . 1 1 9 9 GLU CG C 13 33.767 0.172 . 1 . . . A 9 GLU CG . 19431 1 106 . 1 1 9 9 GLU N N 15 121.059 0.125 . 1 . . . A 9 GLU N . 19431 1 107 . 1 1 10 10 GLY H H 1 8.707 0.007 . 1 . . . A 10 GLY H . 19431 1 108 . 1 1 10 10 GLY HA2 H 1 4.186 0.007 . 2 . . . A 10 GLY HA2 . 19431 1 109 . 1 1 10 10 GLY HA3 H 1 3.386 0.007 . 2 . . . A 10 GLY HA3 . 19431 1 110 . 1 1 10 10 GLY CA C 13 42.029 0.172 . 1 . . . A 10 GLY CA . 19431 1 111 . 1 1 10 10 GLY N N 15 112.279 0.125 . 1 . . . A 10 GLY N . 19431 1 112 . 1 1 11 11 PHE H H 1 7.543 0.007 . 1 . . . A 11 PHE H . 19431 1 113 . 1 1 11 11 PHE HA H 1 4.660 0.007 . 1 . . . A 11 PHE HA . 19431 1 114 . 1 1 11 11 PHE HB2 H 1 2.979 0.007 . 2 . . . A 11 PHE HB2 . 19431 1 115 . 1 1 11 11 PHE HB3 H 1 2.610 0.007 . 2 . . . A 11 PHE HB3 . 19431 1 116 . 1 1 11 11 PHE HD1 H 1 7.099 0.007 . 3 . . . A 11 PHE HD1 . 19431 1 117 . 1 1 11 11 PHE HD2 H 1 6.983 0.007 . 3 . . . A 11 PHE HD2 . 19431 1 118 . 1 1 11 11 PHE CA C 13 54.280 0.172 . 1 . . . A 11 PHE CA . 19431 1 119 . 1 1 11 11 PHE CB C 13 39.721 0.172 . 1 . . . A 11 PHE CB . 19431 1 120 . 1 1 11 11 PHE CD1 C 13 129.170 0.172 . 3 . . . A 11 PHE CD1 . 19431 1 121 . 1 1 11 11 PHE CD2 C 13 129.174 0.172 . 3 . . . A 11 PHE CD2 . 19431 1 122 . 1 1 11 11 PHE N N 15 117.612 0.125 . 1 . . . A 11 PHE N . 19431 1 123 . 1 1 12 12 ASP H H 1 8.590 0.007 . 1 . . . A 12 ASP H . 19431 1 124 . 1 1 12 12 ASP HA H 1 4.875 0.007 . 1 . . . A 12 ASP HA . 19431 1 125 . 1 1 12 12 ASP HB2 H 1 2.524 0.007 . 2 . . . A 12 ASP HB2 . 19431 1 126 . 1 1 12 12 ASP HB3 H 1 2.562 0.007 . 2 . . . A 12 ASP HB3 . 19431 1 127 . 1 1 12 12 ASP CA C 13 49.676 0.172 . 1 . . . A 12 ASP CA . 19431 1 128 . 1 1 12 12 ASP CB C 13 42.307 0.172 . 1 . . . A 12 ASP CB . 19431 1 129 . 1 1 12 12 ASP N N 15 121.568 0.125 . 1 . . . A 12 ASP N . 19431 1 130 . 1 1 13 13 LYS H H 1 8.692 0.007 . 1 . . . A 13 LYS H . 19431 1 131 . 1 1 13 13 LYS HA H 1 3.294 0.007 . 1 . . . A 13 LYS HA . 19431 1 132 . 1 1 13 13 LYS HB2 H 1 1.353 0.007 . 2 . . . A 13 LYS HB2 . 19431 1 133 . 1 1 13 13 LYS HB3 H 1 1.445 0.007 . 2 . . . A 13 LYS HB3 . 19431 1 134 . 1 1 13 13 LYS HG2 H 1 0.156 0.007 . 2 . . . A 13 LYS HG2 . 19431 1 135 . 1 1 13 13 LYS HG3 H 1 1.031 0.007 . 2 . . . A 13 LYS HG3 . 19431 1 136 . 1 1 13 13 LYS HD2 H 1 1.349 0.007 . 1 . . . A 13 LYS HD2 . 19431 1 137 . 1 1 13 13 LYS HD3 H 1 1.349 0.007 . 1 . . . A 13 LYS QD . 19431 1 138 . 1 1 13 13 LYS HE2 H 1 2.656 0.007 . 2 . . . A 13 LYS HE2 . 19431 1 139 . 1 1 13 13 LYS HE3 H 1 2.745 0.007 . 2 . . . A 13 LYS HE3 . 19431 1 140 . 1 1 13 13 LYS CA C 13 58.046 0.172 . 1 . . . A 13 LYS CA . 19431 1 141 . 1 1 13 13 LYS CB C 13 30.216 0.172 . 1 . . . A 13 LYS CB . 19431 1 142 . 1 1 13 13 LYS CG C 13 22.877 0.172 . 1 . . . A 13 LYS CG . 19431 1 143 . 1 1 13 13 LYS CD C 13 27.058 0.172 . 1 . . . A 13 LYS CD . 19431 1 144 . 1 1 13 13 LYS CE C 13 39.800 0.172 . 1 . . . A 13 LYS CE . 19431 1 145 . 1 1 13 13 LYS N N 15 125.770 0.125 . 1 . . . A 13 LYS N . 19431 1 146 . 1 1 14 14 GLU H H 1 8.343 0.007 . 1 . . . A 14 GLU H . 19431 1 147 . 1 1 14 14 GLU HA H 1 4.090 0.007 . 1 . . . A 14 GLU HA . 19431 1 148 . 1 1 14 14 GLU HB2 H 1 2.017 0.007 . 1 . . . A 14 GLU HB2 . 19431 1 149 . 1 1 14 14 GLU HB3 H 1 2.017 0.007 . 1 . . . A 14 GLU QB . 19431 1 150 . 1 1 14 14 GLU HG2 H 1 2.218 0.007 . 1 . . . A 14 GLU HG2 . 19431 1 151 . 1 1 14 14 GLU HG3 H 1 2.218 0.007 . 1 . . . A 14 GLU QG . 19431 1 152 . 1 1 14 14 GLU CA C 13 56.364 0.172 . 1 . . . A 14 GLU CA . 19431 1 153 . 1 1 14 14 GLU CB C 13 26.479 0.172 . 1 . . . A 14 GLU CB . 19431 1 154 . 1 1 14 14 GLU CG C 13 33.660 0.172 . 1 . . . A 14 GLU CG . 19431 1 155 . 1 1 14 14 GLU N N 15 118.590 0.125 . 1 . . . A 14 GLU N . 19431 1 156 . 1 1 15 15 THR H H 1 8.015 0.007 . 1 . . . A 15 THR H . 19431 1 157 . 1 1 15 15 THR HA H 1 3.737 0.007 . 1 . . . A 15 THR HA . 19431 1 158 . 1 1 15 15 THR HB H 1 4.377 0.007 . 1 . . . A 15 THR HB . 19431 1 159 . 1 1 15 15 THR HG21 H 1 1.137 0.007 . 1 . . . A 15 THR HG21 . 19431 1 160 . 1 1 15 15 THR HG22 H 1 1.137 0.007 . 1 . . . A 15 THR HG22 . 19431 1 161 . 1 1 15 15 THR HG23 H 1 1.137 0.007 . 1 . . . A 15 THR HG23 . 19431 1 162 . 1 1 15 15 THR CA C 13 63.974 0.172 . 1 . . . A 15 THR CA . 19431 1 163 . 1 1 15 15 THR CB C 13 65.565 0.172 . 1 . . . A 15 THR CB . 19431 1 164 . 1 1 15 15 THR CG2 C 13 18.994 0.172 . 1 . . . A 15 THR CG2 . 19431 1 165 . 1 1 15 15 THR N N 15 118.372 0.125 . 1 . . . A 15 THR N . 19431 1 166 . 1 1 16 16 VAL H H 1 8.342 0.007 . 1 . . . A 16 VAL H . 19431 1 167 . 1 1 16 16 VAL HA H 1 3.329 0.007 . 1 . . . A 16 VAL HA . 19431 1 168 . 1 1 16 16 VAL HB H 1 2.125 0.007 . 1 . . . A 16 VAL HB . 19431 1 169 . 1 1 16 16 VAL HG11 H 1 1.081 0.007 . 2 . . . A 16 VAL HG11 . 19431 1 170 . 1 1 16 16 VAL HG12 H 1 1.081 0.007 . 2 . . . A 16 VAL HG12 . 19431 1 171 . 1 1 16 16 VAL HG13 H 1 1.081 0.007 . 2 . . . A 16 VAL HG13 . 19431 1 172 . 1 1 16 16 VAL HG21 H 1 0.948 0.007 . 1 . . . A 16 VAL HG21 . 19431 1 173 . 1 1 16 16 VAL HG22 H 1 0.948 0.007 . 1 . . . A 16 VAL HG22 . 19431 1 174 . 1 1 16 16 VAL HG23 H 1 0.948 0.007 . 1 . . . A 16 VAL HG23 . 19431 1 175 . 1 1 16 16 VAL CA C 13 64.214 0.172 . 1 . . . A 16 VAL CA . 19431 1 176 . 1 1 16 16 VAL CB C 13 29.011 0.172 . 1 . . . A 16 VAL CB . 19431 1 177 . 1 1 16 16 VAL CG1 C 13 21.296 0.172 . 1 . . . A 16 VAL CG1 . 19431 1 178 . 1 1 16 16 VAL CG2 C 13 19.116 0.172 . 2 . . . A 16 VAL CG2 . 19431 1 179 . 1 1 16 16 VAL N N 15 121.083 0.125 . 1 . . . A 16 VAL N . 19431 1 180 . 1 1 17 17 ARG H H 1 8.353 0.007 . 1 . . . A 17 ARG H . 19431 1 181 . 1 1 17 17 ARG HA H 1 3.737 0.007 . 1 . . . A 17 ARG HA . 19431 1 182 . 1 1 17 17 ARG HB2 H 1 2.256 0.007 . 2 . . . A 17 ARG HB2 . 19431 1 183 . 1 1 17 17 ARG HB3 H 1 1.838 0.007 . 2 . . . A 17 ARG HB3 . 19431 1 184 . 1 1 17 17 ARG HG2 H 1 1.518 0.007 . 2 . . . A 17 ARG HG2 . 19431 1 185 . 1 1 17 17 ARG HG3 H 1 1.369 0.007 . 2 . . . A 17 ARG HG3 . 19431 1 186 . 1 1 17 17 ARG HD2 H 1 3.134 0.007 . 2 . . . A 17 ARG HD2 . 19431 1 187 . 1 1 17 17 ARG HD3 H 1 3.291 0.007 . 2 . . . A 17 ARG HD3 . 19431 1 188 . 1 1 17 17 ARG CA C 13 58.049 0.172 . 1 . . . A 17 ARG CA . 19431 1 189 . 1 1 17 17 ARG CB C 13 27.401 0.172 . 1 . . . A 17 ARG CB . 19431 1 190 . 1 1 17 17 ARG CG C 13 25.608 0.172 . 1 . . . A 17 ARG CG . 19431 1 191 . 1 1 17 17 ARG CD C 13 40.818 0.172 . 1 . . . A 17 ARG CD . 19431 1 192 . 1 1 17 17 ARG N N 15 119.409 0.125 . 1 . . . A 17 ARG N . 19431 1 193 . 1 1 18 18 LYS H H 1 8.028 0.007 . 1 . . . A 18 LYS H . 19431 1 194 . 1 1 18 18 LYS HA H 1 3.800 0.007 . 1 . . . A 18 LYS HA . 19431 1 195 . 1 1 18 18 LYS HB2 H 1 1.730 0.007 . 2 . . . A 18 LYS HB2 . 19431 1 196 . 1 1 18 18 LYS HB3 H 1 1.778 0.007 . 2 . . . A 18 LYS HB3 . 19431 1 197 . 1 1 18 18 LYS HG2 H 1 1.468 0.007 . 1 . . . A 18 LYS HG2 . 19431 1 198 . 1 1 18 18 LYS HG3 H 1 1.468 0.007 . 1 . . . A 18 LYS QG . 19431 1 199 . 1 1 18 18 LYS HD2 H 1 1.564 0.007 . 1 . . . A 18 LYS HD2 . 19431 1 200 . 1 1 18 18 LYS HD3 H 1 1.564 0.007 . 1 . . . A 18 LYS QD . 19431 1 201 . 1 1 18 18 LYS HE2 H 1 2.889 0.007 . 2 . . . A 18 LYS HE2 . 19431 1 202 . 1 1 18 18 LYS HE3 H 1 2.857 0.007 . 2 . . . A 18 LYS HE3 . 19431 1 203 . 1 1 18 18 LYS CA C 13 57.031 0.172 . 1 . . . A 18 LYS CA . 19431 1 204 . 1 1 18 18 LYS CB C 13 29.801 0.172 . 1 . . . A 18 LYS CB . 19431 1 205 . 1 1 18 18 LYS CG C 13 22.673 0.172 . 1 . . . A 18 LYS CG . 19431 1 206 . 1 1 18 18 LYS CD C 13 26.823 0.172 . 1 . . . A 18 LYS CD . 19431 1 207 . 1 1 18 18 LYS CE C 13 39.626 0.172 . 1 . . . A 18 LYS CE . 19431 1 208 . 1 1 18 18 LYS N N 15 116.168 0.125 . 1 . . . A 18 LYS N . 19431 1 209 . 1 1 19 19 GLN H H 1 8.140 0.007 . 1 . . . A 19 GLN H . 19431 1 210 . 1 1 19 19 GLN HA H 1 3.767 0.007 . 1 . . . A 19 GLN HA . 19431 1 211 . 1 1 19 19 GLN HB2 H 1 1.841 0.007 . 2 . . . A 19 GLN HB2 . 19431 1 212 . 1 1 19 19 GLN HB3 H 1 1.437 0.007 . 2 . . . A 19 GLN HB3 . 19431 1 213 . 1 1 19 19 GLN HG2 H 1 2.600 0.007 . 2 . . . A 19 GLN HG2 . 19431 1 214 . 1 1 19 19 GLN HG3 H 1 1.729 0.007 . 2 . . . A 19 GLN HG3 . 19431 1 215 . 1 1 19 19 GLN HE21 H 1 7.163 0.007 . 2 . . . A 19 GLN HE21 . 19431 1 216 . 1 1 19 19 GLN HE22 H 1 7.626 0.007 . 2 . . . A 19 GLN HE22 . 19431 1 217 . 1 1 19 19 GLN CA C 13 54.492 0.172 . 1 . . . A 19 GLN CA . 19431 1 218 . 1 1 19 19 GLN CB C 13 26.490 0.172 . 1 . . . A 19 GLN CB . 19431 1 219 . 1 1 19 19 GLN CG C 13 31.816 0.172 . 1 . . . A 19 GLN CG . 19431 1 220 . 1 1 19 19 GLN N N 15 120.008 0.125 . 1 . . . A 19 GLN N . 19431 1 221 . 1 1 19 19 GLN NE2 N 15 119.890 0.125 . 1 . . . A 19 GLN NE2 . 19431 1 222 . 1 1 20 20 ALA H H 1 8.478 0.007 . 1 . . . A 20 ALA H . 19431 1 223 . 1 1 20 20 ALA HA H 1 4.404 0.007 . 1 . . . A 20 ALA HA . 19431 1 224 . 1 1 20 20 ALA HB1 H 1 1.380 0.007 . 1 . . . A 20 ALA HB1 . 19431 1 225 . 1 1 20 20 ALA HB2 H 1 1.380 0.007 . 1 . . . A 20 ALA HB2 . 19431 1 226 . 1 1 20 20 ALA HB3 H 1 1.380 0.007 . 1 . . . A 20 ALA HB3 . 19431 1 227 . 1 1 20 20 ALA CA C 13 52.036 0.172 . 1 . . . A 20 ALA CA . 19431 1 228 . 1 1 20 20 ALA CB C 13 16.407 0.172 . 1 . . . A 20 ALA CB . 19431 1 229 . 1 1 20 20 ALA N N 15 122.405 0.125 . 1 . . . A 20 ALA N . 19431 1 230 . 1 1 21 21 MET H H 1 7.666 0.007 . 1 . . . A 21 MET H . 19431 1 231 . 1 1 21 21 MET HA H 1 3.354 0.007 . 1 . . . A 21 MET HA . 19431 1 232 . 1 1 21 21 MET HB2 H 1 1.773 0.007 . 2 . . . A 21 MET HB2 . 19431 1 233 . 1 1 21 21 MET HB3 H 1 1.349 0.007 . 2 . . . A 21 MET HB3 . 19431 1 234 . 1 1 21 21 MET HG2 H 1 2.244 0.007 . 2 . . . A 21 MET HG2 . 19431 1 235 . 1 1 21 21 MET HG3 H 1 0.417 0.007 . 2 . . . A 21 MET HG3 . 19431 1 236 . 1 1 21 21 MET HE1 H 1 1.778 0.007 . 1 . . . A 21 MET HE1 . 19431 1 237 . 1 1 21 21 MET HE2 H 1 1.778 0.007 . 1 . . . A 21 MET HE2 . 19431 1 238 . 1 1 21 21 MET HE3 H 1 1.778 0.007 . 1 . . . A 21 MET HE3 . 19431 1 239 . 1 1 21 21 MET CA C 13 56.861 0.172 . 1 . . . A 21 MET CA . 19431 1 240 . 1 1 21 21 MET CB C 13 30.538 0.172 . 1 . . . A 21 MET CB . 19431 1 241 . 1 1 21 21 MET CG C 13 28.351 0.172 . 1 . . . A 21 MET CG . 19431 1 242 . 1 1 21 21 MET CE C 13 13.794 0.172 . 1 . . . A 21 MET CE . 19431 1 243 . 1 1 21 21 MET N N 15 115.042 0.125 . 1 . . . A 21 MET N . 19431 1 244 . 1 1 22 22 GLU H H 1 7.587 0.007 . 1 . . . A 22 GLU H . 19431 1 245 . 1 1 22 22 GLU HA H 1 3.923 0.007 . 1 . . . A 22 GLU HA . 19431 1 246 . 1 1 22 22 GLU HB2 H 1 2.030 0.007 . 1 . . . A 22 GLU HB2 . 19431 1 247 . 1 1 22 22 GLU HB3 H 1 2.030 0.007 . 1 . . . A 22 GLU QB . 19431 1 248 . 1 1 22 22 GLU HG2 H 1 2.348 0.007 . 2 . . . A 22 GLU HG2 . 19431 1 249 . 1 1 22 22 GLU HG3 H 1 2.174 0.007 . 2 . . . A 22 GLU HG3 . 19431 1 250 . 1 1 22 22 GLU CA C 13 56.675 0.172 . 1 . . . A 22 GLU CA . 19431 1 251 . 1 1 22 22 GLU CB C 13 26.613 0.172 . 1 . . . A 22 GLU CB . 19431 1 252 . 1 1 22 22 GLU CG C 13 33.601 0.172 . 1 . . . A 22 GLU CG . 19431 1 253 . 1 1 22 22 GLU N N 15 118.882 0.125 . 1 . . . A 22 GLU N . 19431 1 254 . 1 1 23 23 ASP H H 1 9.163 0.007 . 1 . . . A 23 ASP H . 19431 1 255 . 1 1 23 23 ASP HA H 1 4.658 0.007 . 1 . . . A 23 ASP HA . 19431 1 256 . 1 1 23 23 ASP HB2 H 1 2.826 0.007 . 2 . . . A 23 ASP HB2 . 19431 1 257 . 1 1 23 23 ASP HB3 H 1 2.469 0.007 . 2 . . . A 23 ASP HB3 . 19431 1 258 . 1 1 23 23 ASP CA C 13 55.053 0.172 . 1 . . . A 23 ASP CA . 19431 1 259 . 1 1 23 23 ASP CB C 13 37.479 0.172 . 1 . . . A 23 ASP CB . 19431 1 260 . 1 1 23 23 ASP N N 15 122.549 0.125 . 1 . . . A 23 ASP N . 19431 1 261 . 1 1 24 24 ILE H H 1 8.658 0.007 . 1 . . . A 24 ILE H . 19431 1 262 . 1 1 24 24 ILE HA H 1 3.678 0.007 . 1 . . . A 24 ILE HA . 19431 1 263 . 1 1 24 24 ILE HB H 1 1.847 0.007 . 1 . . . A 24 ILE HB . 19431 1 264 . 1 1 24 24 ILE HG12 H 1 0.198 0.007 . 2 . . . A 24 ILE HG12 . 19431 1 265 . 1 1 24 24 ILE HG13 H 1 1.692 0.007 . 2 . . . A 24 ILE HG13 . 19431 1 266 . 1 1 24 24 ILE HG21 H 1 0.583 0.007 . 1 . . . A 24 ILE HG21 . 19431 1 267 . 1 1 24 24 ILE HG22 H 1 0.583 0.007 . 1 . . . A 24 ILE HG22 . 19431 1 268 . 1 1 24 24 ILE HG23 H 1 0.583 0.007 . 1 . . . A 24 ILE HG23 . 19431 1 269 . 1 1 24 24 ILE HD11 H 1 0.417 0.007 . 1 . . . A 24 ILE HD11 . 19431 1 270 . 1 1 24 24 ILE HD12 H 1 0.417 0.007 . 1 . . . A 24 ILE HD12 . 19431 1 271 . 1 1 24 24 ILE HD13 H 1 0.417 0.007 . 1 . . . A 24 ILE HD13 . 19431 1 272 . 1 1 24 24 ILE CA C 13 63.201 0.172 . 1 . . . A 24 ILE CA . 19431 1 273 . 1 1 24 24 ILE CB C 13 35.138 0.172 . 1 . . . A 24 ILE CB . 19431 1 274 . 1 1 24 24 ILE CG1 C 13 27.972 0.172 . 1 . . . A 24 ILE CG1 . 19431 1 275 . 1 1 24 24 ILE CG2 C 13 14.278 0.172 . 1 . . . A 24 ILE CG2 . 19431 1 276 . 1 1 24 24 ILE CD1 C 13 12.415 0.172 . 1 . . . A 24 ILE CD1 . 19431 1 277 . 1 1 24 24 ILE N N 15 123.580 0.125 . 1 . . . A 24 ILE N . 19431 1 278 . 1 1 25 25 GLU H H 1 8.082 0.007 . 1 . . . A 25 GLU H . 19431 1 279 . 1 1 25 25 GLU HA H 1 3.885 0.007 . 1 . . . A 25 GLU HA . 19431 1 280 . 1 1 25 25 GLU HB2 H 1 2.281 0.007 . 2 . . . A 25 GLU HB2 . 19431 1 281 . 1 1 25 25 GLU HB3 H 1 1.985 0.007 . 2 . . . A 25 GLU HB3 . 19431 1 282 . 1 1 25 25 GLU HG2 H 1 2.027 0.007 . 2 . . . A 25 GLU HG2 . 19431 1 283 . 1 1 25 25 GLU HG3 H 1 2.551 0.007 . 2 . . . A 25 GLU HG3 . 19431 1 284 . 1 1 25 25 GLU CA C 13 57.824 0.172 . 1 . . . A 25 GLU CA . 19431 1 285 . 1 1 25 25 GLU CB C 13 25.883 0.172 . 1 . . . A 25 GLU CB . 19431 1 286 . 1 1 25 25 GLU CG C 13 33.741 0.172 . 1 . . . A 25 GLU CG . 19431 1 287 . 1 1 25 25 GLU N N 15 120.591 0.125 . 1 . . . A 25 GLU N . 19431 1 288 . 1 1 26 26 ILE H H 1 8.642 0.007 . 1 . . . A 26 ILE H . 19431 1 289 . 1 1 26 26 ILE HA H 1 3.718 0.007 . 1 . . . A 26 ILE HA . 19431 1 290 . 1 1 26 26 ILE HB H 1 2.113 0.007 . 1 . . . A 26 ILE HB . 19431 1 291 . 1 1 26 26 ILE HG12 H 1 1.024 0.007 . 1 . . . A 26 ILE HG12 . 19431 1 292 . 1 1 26 26 ILE HG13 H 1 1.024 0.007 . 1 . . . A 26 ILE QG1 . 19431 1 293 . 1 1 26 26 ILE HG21 H 1 0.817 0.007 . 1 . . . A 26 ILE HG21 . 19431 1 294 . 1 1 26 26 ILE HG22 H 1 0.817 0.007 . 1 . . . A 26 ILE HG22 . 19431 1 295 . 1 1 26 26 ILE HG23 H 1 0.817 0.007 . 1 . . . A 26 ILE HG23 . 19431 1 296 . 1 1 26 26 ILE HD11 H 1 0.897 0.007 . 1 . . . A 26 ILE HD11 . 19431 1 297 . 1 1 26 26 ILE HD12 H 1 0.897 0.007 . 1 . . . A 26 ILE HD12 . 19431 1 298 . 1 1 26 26 ILE HD13 H 1 0.897 0.007 . 1 . . . A 26 ILE HD13 . 19431 1 299 . 1 1 26 26 ILE CA C 13 62.881 0.172 . 1 . . . A 26 ILE CA . 19431 1 300 . 1 1 26 26 ILE CB C 13 35.324 0.172 . 1 . . . A 26 ILE CB . 19431 1 301 . 1 1 26 26 ILE CG1 C 13 26.690 0.172 . 1 . . . A 26 ILE CG1 . 19431 1 302 . 1 1 26 26 ILE CG2 C 13 14.577 0.172 . 1 . . . A 26 ILE CG2 . 19431 1 303 . 1 1 26 26 ILE CD1 C 13 10.928 0.172 . 1 . . . A 26 ILE CD1 . 19431 1 304 . 1 1 26 26 ILE N N 15 121.350 0.125 . 1 . . . A 26 ILE N . 19431 1 305 . 1 1 27 27 ALA H H 1 8.640 0.007 . 1 . . . A 27 ALA H . 19431 1 306 . 1 1 27 27 ALA N N 15 120.204 0.125 . 1 . . . A 27 ALA N . 19431 1 307 . 1 1 28 28 GLN H H 1 8.727 0.007 . 1 . . . A 28 GLN H . 19431 1 308 . 1 1 28 28 GLN HB2 H 1 2.183 0.007 . 1 . . . A 28 GLN HB2 . 19431 1 309 . 1 1 28 28 GLN HB3 H 1 2.183 0.007 . 1 . . . A 28 GLN QB . 19431 1 310 . 1 1 28 28 GLN HG2 H 1 2.822 0.007 . 2 . . . A 28 GLN HG2 . 19431 1 311 . 1 1 28 28 GLN HG3 H 1 2.592 0.007 . 2 . . . A 28 GLN HG3 . 19431 1 312 . 1 1 28 28 GLN HE21 H 1 6.915 0.007 . 2 . . . A 28 GLN HE21 . 19431 1 313 . 1 1 28 28 GLN HE22 H 1 5.134 0.007 . 2 . . . A 28 GLN HE22 . 19431 1 314 . 1 1 28 28 GLN CB C 13 26.380 0.172 . 1 . . . A 28 GLN CB . 19431 1 315 . 1 1 28 28 GLN CG C 13 32.247 0.172 . 1 . . . A 28 GLN CG . 19431 1 316 . 1 1 28 28 GLN N N 15 114.627 0.125 . 1 . . . A 28 GLN N . 19431 1 317 . 1 1 28 28 GLN NE2 N 15 105.400 0.125 . 1 . . . A 28 GLN NE2 . 19431 1 318 . 1 1 29 29 SER H H 1 7.849 0.007 . 1 . . . A 29 SER H . 19431 1 319 . 1 1 29 29 SER HA H 1 4.260 0.007 . 1 . . . A 29 SER HA . 19431 1 320 . 1 1 29 29 SER HB2 H 1 4.116 0.007 . 1 . . . A 29 SER HB2 . 19431 1 321 . 1 1 29 29 SER HB3 H 1 4.116 0.007 . 1 . . . A 29 SER QB . 19431 1 322 . 1 1 29 29 SER CA C 13 57.768 0.172 . 1 . . . A 29 SER CA . 19431 1 323 . 1 1 29 29 SER CB C 13 61.367 0.172 . 1 . . . A 29 SER CB . 19431 1 324 . 1 1 29 29 SER N N 15 115.031 0.125 . 1 . . . A 29 SER N . 19431 1 325 . 1 1 30 30 LYS H H 1 7.078 0.007 . 1 . . . A 30 LYS H . 19431 1 326 . 1 1 30 30 LYS HA H 1 4.228 0.007 . 1 . . . A 30 LYS HA . 19431 1 327 . 1 1 30 30 LYS HB2 H 1 2.328 0.007 . 2 . . . A 30 LYS HB2 . 19431 1 328 . 1 1 30 30 LYS HB3 H 1 1.946 0.007 . 2 . . . A 30 LYS HB3 . 19431 1 329 . 1 1 30 30 LYS HG2 H 1 1.179 0.007 . 1 . . . A 30 LYS HG2 . 19431 1 330 . 1 1 30 30 LYS HG3 H 1 1.179 0.007 . 1 . . . A 30 LYS QG . 19431 1 331 . 1 1 30 30 LYS HD2 H 1 1.586 0.007 . 2 . . . A 30 LYS HD2 . 19431 1 332 . 1 1 30 30 LYS HD3 H 1 1.635 0.007 . 2 . . . A 30 LYS HD3 . 19431 1 333 . 1 1 30 30 LYS HE2 H 1 2.878 0.007 . 1 . . . A 30 LYS HE2 . 19431 1 334 . 1 1 30 30 LYS HE3 H 1 2.878 0.007 . 1 . . . A 30 LYS QE . 19431 1 335 . 1 1 30 30 LYS CA C 13 56.103 0.172 . 1 . . . A 30 LYS CA . 19431 1 336 . 1 1 30 30 LYS CB C 13 26.478 0.172 . 1 . . . A 30 LYS CB . 19431 1 337 . 1 1 30 30 LYS CG C 13 22.522 0.172 . 1 . . . A 30 LYS CG . 19431 1 338 . 1 1 30 30 LYS CD C 13 27.194 0.172 . 1 . . . A 30 LYS CD . 19431 1 339 . 1 1 30 30 LYS CE C 13 39.574 0.172 . 1 . . . A 30 LYS CE . 19431 1 340 . 1 1 30 30 LYS N N 15 112.834 0.125 . 1 . . . A 30 LYS N . 19431 1 341 . 1 1 31 31 ASP H H 1 7.688 0.007 . 1 . . . A 31 ASP H . 19431 1 342 . 1 1 31 31 ASP HA H 1 4.877 0.007 . 1 . . . A 31 ASP HA . 19431 1 343 . 1 1 31 31 ASP HB2 H 1 2.894 0.007 . 2 . . . A 31 ASP HB2 . 19431 1 344 . 1 1 31 31 ASP HB3 H 1 2.418 0.007 . 2 . . . A 31 ASP HB3 . 19431 1 345 . 1 1 31 31 ASP CA C 13 49.742 0.172 . 1 . . . A 31 ASP CA . 19431 1 346 . 1 1 31 31 ASP CB C 13 38.652 0.172 . 1 . . . A 31 ASP CB . 19431 1 347 . 1 1 31 31 ASP N N 15 121.067 0.125 . 1 . . . A 31 ASP N . 19431 1 348 . 1 1 32 32 TYR H H 1 8.582 0.007 . 1 . . . A 32 TYR H . 19431 1 349 . 1 1 32 32 TYR HA H 1 3.311 0.007 . 1 . . . A 32 TYR HA . 19431 1 350 . 1 1 32 32 TYR HB2 H 1 2.704 0.007 . 2 . . . A 32 TYR HB2 . 19431 1 351 . 1 1 32 32 TYR HB3 H 1 3.338 0.007 . 2 . . . A 32 TYR HB3 . 19431 1 352 . 1 1 32 32 TYR HD1 H 1 6.781 0.007 . 1 . . . A 32 TYR HD1 . 19431 1 353 . 1 1 32 32 TYR HD2 H 1 6.781 0.007 . 1 . . . A 32 TYR HD2 . 19431 1 354 . 1 1 32 32 TYR HE1 H 1 6.016 0.007 . 1 . . . A 32 TYR HE1 . 19431 1 355 . 1 1 32 32 TYR HE2 H 1 6.016 0.007 . 1 . . . A 32 TYR HE2 . 19431 1 356 . 1 1 32 32 TYR CA C 13 57.951 0.172 . 1 . . . A 32 TYR CA . 19431 1 357 . 1 1 32 32 TYR CB C 13 36.158 0.172 . 1 . . . A 32 TYR CB . 19431 1 358 . 1 1 32 32 TYR CD1 C 13 130.680 0.172 . 3 . . . A 32 TYR CD1 . 19431 1 359 . 1 1 32 32 TYR CD2 C 13 130.683 0.172 . 3 . . . A 32 TYR CD2 . 19431 1 360 . 1 1 32 32 TYR CE1 C 13 115.120 0.172 . 3 . . . A 32 TYR CE1 . 19431 1 361 . 1 1 32 32 TYR CE2 C 13 115.122 0.172 . 3 . . . A 32 TYR CE2 . 19431 1 362 . 1 1 32 32 TYR N N 15 126.671 0.125 . 1 . . . A 32 TYR N . 19431 1 363 . 1 1 33 33 GLU H H 1 8.424 0.007 . 1 . . . A 33 GLU H . 19431 1 364 . 1 1 33 33 GLU HA H 1 3.442 0.007 . 1 . . . A 33 GLU HA . 19431 1 365 . 1 1 33 33 GLU HB2 H 1 1.933 0.007 . 1 . . . A 33 GLU HB2 . 19431 1 366 . 1 1 33 33 GLU HB3 H 1 1.933 0.007 . 1 . . . A 33 GLU QB . 19431 1 367 . 1 1 33 33 GLU HG2 H 1 2.322 0.007 . 1 . . . A 33 GLU HG2 . 19431 1 368 . 1 1 33 33 GLU HG3 H 1 2.322 0.007 . 1 . . . A 33 GLU QG . 19431 1 369 . 1 1 33 33 GLU CA C 13 56.757 0.172 . 1 . . . A 33 GLU CA . 19431 1 370 . 1 1 33 33 GLU CB C 13 26.095 0.172 . 1 . . . A 33 GLU CB . 19431 1 371 . 1 1 33 33 GLU CG C 13 33.425 0.172 . 1 . . . A 33 GLU CG . 19431 1 372 . 1 1 33 33 GLU N N 15 115.884 0.125 . 1 . . . A 33 GLU N . 19431 1 373 . 1 1 34 34 SER H H 1 7.657 0.007 . 1 . . . A 34 SER H . 19431 1 374 . 1 1 34 34 SER HA H 1 4.026 0.007 . 1 . . . A 34 SER HA . 19431 1 375 . 1 1 34 34 SER HB2 H 1 3.656 0.007 . 1 . . . A 34 SER HB2 . 19431 1 376 . 1 1 34 34 SER HB3 H 1 3.656 0.007 . 1 . . . A 34 SER QB . 19431 1 377 . 1 1 34 34 SER CA C 13 58.953 0.172 . 1 . . . A 34 SER CA . 19431 1 378 . 1 1 34 34 SER CB C 13 59.683 0.172 . 1 . . . A 34 SER CB . 19431 1 379 . 1 1 34 34 SER N N 15 116.060 0.125 . 1 . . . A 34 SER N . 19431 1 380 . 1 1 35 35 TRP H H 1 7.613 0.007 . 1 . . . A 35 TRP H . 19431 1 381 . 1 1 35 35 TRP HB2 H 1 2.849 0.007 . 2 . . . A 35 TRP HB2 . 19431 1 382 . 1 1 35 35 TRP HB3 H 1 2.610 0.007 . 2 . . . A 35 TRP HB3 . 19431 1 383 . 1 1 35 35 TRP HD1 H 1 6.405 0.007 . 1 . . . A 35 TRP HD1 . 19431 1 384 . 1 1 35 35 TRP HE1 H 1 8.864 0.007 . 1 . . . A 35 TRP HE1 . 19431 1 385 . 1 1 35 35 TRP HE3 H 1 6.944 0.007 . 1 . . . A 35 TRP HE3 . 19431 1 386 . 1 1 35 35 TRP CA C 13 57.894 0.172 . 1 . . . A 35 TRP CA . 19431 1 387 . 1 1 35 35 TRP CB C 13 25.531 0.172 . 1 . . . A 35 TRP CB . 19431 1 388 . 1 1 35 35 TRP CD1 C 13 121.841 0.172 . 1 . . . A 35 TRP CD1 . 19431 1 389 . 1 1 35 35 TRP CE3 C 13 118.363 0.172 . 1 . . . A 35 TRP CE3 . 19431 1 390 . 1 1 35 35 TRP N N 15 123.977 0.125 . 1 . . . A 35 TRP N . 19431 1 391 . 1 1 35 35 TRP NE1 N 15 126.187 0.125 . 1 . . . A 35 TRP NE1 . 19431 1 392 . 1 1 36 36 LYS H H 1 8.605 0.007 . 1 . . . A 36 LYS H . 19431 1 393 . 1 1 36 36 LYS HA H 1 3.128 0.007 . 1 . . . A 36 LYS HA . 19431 1 394 . 1 1 36 36 LYS HB2 H 1 1.247 0.007 . 2 . . . A 36 LYS HB2 . 19431 1 395 . 1 1 36 36 LYS HB3 H 1 0.906 0.007 . 2 . . . A 36 LYS HB3 . 19431 1 396 . 1 1 36 36 LYS HG2 H 1 0.975 0.007 . 2 . . . A 36 LYS HG2 . 19431 1 397 . 1 1 36 36 LYS HG3 H 1 0.890 0.007 . 2 . . . A 36 LYS HG3 . 19431 1 398 . 1 1 36 36 LYS HD2 H 1 1.336 0.007 . 2 . . . A 36 LYS HD2 . 19431 1 399 . 1 1 36 36 LYS HD3 H 1 1.458 0.007 . 2 . . . A 36 LYS HD3 . 19431 1 400 . 1 1 36 36 LYS HE2 H 1 2.664 0.007 . 1 . . . A 36 LYS HE2 . 19431 1 401 . 1 1 36 36 LYS HE3 H 1 2.664 0.007 . 1 . . . A 36 LYS QE . 19431 1 402 . 1 1 36 36 LYS CA C 13 55.998 0.172 . 1 . . . A 36 LYS CA . 19431 1 403 . 1 1 36 36 LYS CB C 13 29.304 0.172 . 1 . . . A 36 LYS CB . 19431 1 404 . 1 1 36 36 LYS CG C 13 21.793 0.172 . 1 . . . A 36 LYS CG . 19431 1 405 . 1 1 36 36 LYS CD C 13 26.902 0.172 . 1 . . . A 36 LYS CD . 19431 1 406 . 1 1 36 36 LYS CE C 13 39.400 0.172 . 1 . . . A 36 LYS CE . 19431 1 407 . 1 1 36 36 LYS N N 15 117.633 0.125 . 1 . . . A 36 LYS N . 19431 1 408 . 1 1 37 37 SER H H 1 7.281 0.007 . 1 . . . A 37 SER H . 19431 1 409 . 1 1 37 37 SER HA H 1 3.989 0.007 . 1 . . . A 37 SER HA . 19431 1 410 . 1 1 37 37 SER HB2 H 1 3.886 0.007 . 2 . . . A 37 SER HB2 . 19431 1 411 . 1 1 37 37 SER HB3 H 1 3.849 0.007 . 2 . . . A 37 SER HB3 . 19431 1 412 . 1 1 37 37 SER CA C 13 57.765 0.172 . 1 . . . A 37 SER CA . 19431 1 413 . 1 1 37 37 SER CB C 13 60.606 0.172 . 1 . . . A 37 SER CB . 19431 1 414 . 1 1 37 37 SER N N 15 109.835 0.125 . 1 . . . A 37 SER N . 19431 1 415 . 1 1 38 38 ARG H H 1 7.371 0.007 . 1 . . . A 38 ARG H . 19431 1 416 . 1 1 38 38 ARG HA H 1 4.144 0.007 . 1 . . . A 38 ARG HA . 19431 1 417 . 1 1 38 38 ARG HB2 H 1 1.692 0.007 . 2 . . . A 38 ARG HB2 . 19431 1 418 . 1 1 38 38 ARG HB3 H 1 1.620 0.007 . 2 . . . A 38 ARG HB3 . 19431 1 419 . 1 1 38 38 ARG HG2 H 1 1.432 0.007 . 2 . . . A 38 ARG HG2 . 19431 1 420 . 1 1 38 38 ARG HG3 H 1 1.622 0.007 . 2 . . . A 38 ARG HG3 . 19431 1 421 . 1 1 38 38 ARG HD2 H 1 3.236 0.007 . 2 . . . A 38 ARG HD2 . 19431 1 422 . 1 1 38 38 ARG HD3 H 1 3.043 0.007 . 2 . . . A 38 ARG HD3 . 19431 1 423 . 1 1 38 38 ARG CA C 13 51.208 0.172 . 1 . . . A 38 ARG CA . 19431 1 424 . 1 1 38 38 ARG CB C 13 25.717 0.172 . 1 . . . A 38 ARG CB . 19431 1 425 . 1 1 38 38 ARG CG C 13 25.573 0.172 . 1 . . . A 38 ARG CG . 19431 1 426 . 1 1 38 38 ARG CD C 13 37.597 0.172 . 1 . . . A 38 ARG CD . 19431 1 427 . 1 1 38 38 ARG N N 15 119.946 0.125 . 1 . . . A 38 ARG N . 19431 1 428 . 1 1 39 39 PHE H H 1 7.458 0.007 . 1 . . . A 39 PHE H . 19431 1 429 . 1 1 39 39 PHE HA H 1 4.855 0.007 . 1 . . . A 39 PHE HA . 19431 1 430 . 1 1 39 39 PHE HB2 H 1 2.821 0.007 . 2 . . . A 39 PHE HB2 . 19431 1 431 . 1 1 39 39 PHE HB3 H 1 2.647 0.007 . 2 . . . A 39 PHE HB3 . 19431 1 432 . 1 1 39 39 PHE HD1 H 1 6.673 0.007 . 3 . . . A 39 PHE HD1 . 19431 1 433 . 1 1 39 39 PHE HD2 H 1 6.673 0.007 . 3 . . . A 39 PHE HD2 . 19431 1 434 . 1 1 39 39 PHE HE1 H 1 5.520 0.007 . 3 . . . A 39 PHE HE1 . 19431 1 435 . 1 1 39 39 PHE HE2 H 1 5.520 0.007 . 3 . . . A 39 PHE HE2 . 19431 1 436 . 1 1 39 39 PHE HZ H 1 6.432 0.007 . 1 . . . A 39 PHE HZ . 19431 1 437 . 1 1 39 39 PHE CA C 13 54.234 0.172 . 1 . . . A 39 PHE CA . 19431 1 438 . 1 1 39 39 PHE CB C 13 37.547 0.172 . 1 . . . A 39 PHE CB . 19431 1 439 . 1 1 39 39 PHE CD1 C 13 129.666 0.172 . 3 . . . A 39 PHE CD1 . 19431 1 440 . 1 1 39 39 PHE CD2 C 13 129.670 0.172 . 3 . . . A 39 PHE CD2 . 19431 1 441 . 1 1 39 39 PHE CE1 C 13 127.280 0.172 . 3 . . . A 39 PHE CE1 . 19431 1 442 . 1 1 39 39 PHE CE2 C 13 127.282 0.172 . 3 . . . A 39 PHE CE2 . 19431 1 443 . 1 1 39 39 PHE CZ C 13 126.358 0.172 . 1 . . . A 39 PHE CZ . 19431 1 444 . 1 1 39 39 PHE N N 15 117.529 0.125 . 1 . . . A 39 PHE N . 19431 1 445 . 1 1 40 40 THR H H 1 8.234 0.007 . 1 . . . A 40 THR H . 19431 1 446 . 1 1 40 40 THR HA H 1 3.991 0.007 . 1 . . . A 40 THR HA . 19431 1 447 . 1 1 40 40 THR HB H 1 4.282 0.007 . 1 . . . A 40 THR HB . 19431 1 448 . 1 1 40 40 THR HG21 H 1 1.324 0.007 . 1 . . . A 40 THR HG21 . 19431 1 449 . 1 1 40 40 THR HG22 H 1 1.324 0.007 . 1 . . . A 40 THR HG22 . 19431 1 450 . 1 1 40 40 THR HG23 H 1 1.324 0.007 . 1 . . . A 40 THR HG23 . 19431 1 451 . 1 1 40 40 THR CA C 13 59.704 0.172 . 1 . . . A 40 THR CA . 19431 1 452 . 1 1 40 40 THR CB C 13 66.175 0.172 . 1 . . . A 40 THR CB . 19431 1 453 . 1 1 40 40 THR CG2 C 13 20.655 0.172 . 1 . . . A 40 THR CG2 . 19431 1 454 . 1 1 40 40 THR N N 15 113.296 0.125 . 1 . . . A 40 THR N . 19431 1 455 . 1 1 41 41 LYS H H 1 8.846 0.007 . 1 . . . A 41 LYS H . 19431 1 456 . 1 1 41 41 LYS HA H 1 3.713 0.007 . 1 . . . A 41 LYS HA . 19431 1 457 . 1 1 41 41 LYS HB2 H 1 1.783 0.007 . 2 . . . A 41 LYS HB2 . 19431 1 458 . 1 1 41 41 LYS HB3 H 1 1.831 0.007 . 2 . . . A 41 LYS HB3 . 19431 1 459 . 1 1 41 41 LYS HG2 H 1 1.411 0.007 . 2 . . . A 41 LYS HG2 . 19431 1 460 . 1 1 41 41 LYS HG3 H 1 1.451 0.007 . 2 . . . A 41 LYS HG3 . 19431 1 461 . 1 1 41 41 LYS HD2 H 1 1.610 0.007 . 1 . . . A 41 LYS HD2 . 19431 1 462 . 1 1 41 41 LYS HD3 H 1 1.610 0.007 . 1 . . . A 41 LYS QD . 19431 1 463 . 1 1 41 41 LYS HE2 H 1 2.878 0.007 . 2 . . . A 41 LYS HE2 . 19431 1 464 . 1 1 41 41 LYS HE3 H 1 2.942 0.007 . 2 . . . A 41 LYS HE3 . 19431 1 465 . 1 1 41 41 LYS CA C 13 57.650 0.172 . 1 . . . A 41 LYS CA . 19431 1 466 . 1 1 41 41 LYS CB C 13 29.363 0.172 . 1 . . . A 41 LYS CB . 19431 1 467 . 1 1 41 41 LYS CG C 13 22.164 0.172 . 1 . . . A 41 LYS CG . 19431 1 468 . 1 1 41 41 LYS CD C 13 26.233 0.172 . 1 . . . A 41 LYS CD . 19431 1 469 . 1 1 41 41 LYS CE C 13 39.513 0.172 . 1 . . . A 41 LYS CE . 19431 1 470 . 1 1 41 41 LYS N N 15 124.924 0.125 . 1 . . . A 41 LYS N . 19431 1 471 . 1 1 42 42 ASP H H 1 8.678 0.007 . 1 . . . A 42 ASP H . 19431 1 472 . 1 1 42 42 ASP HA H 1 4.343 0.007 . 1 . . . A 42 ASP HA . 19431 1 473 . 1 1 42 42 ASP HB2 H 1 2.526 0.007 . 2 . . . A 42 ASP HB2 . 19431 1 474 . 1 1 42 42 ASP HB3 H 1 2.605 0.007 . 2 . . . A 42 ASP HB3 . 19431 1 475 . 1 1 42 42 ASP CA C 13 53.841 0.172 . 1 . . . A 42 ASP CA . 19431 1 476 . 1 1 42 42 ASP CB C 13 37.703 0.172 . 1 . . . A 42 ASP CB . 19431 1 477 . 1 1 42 42 ASP N N 15 116.255 0.125 . 1 . . . A 42 ASP N . 19431 1 478 . 1 1 43 43 LEU H H 1 7.514 0.007 . 1 . . . A 43 LEU H . 19431 1 479 . 1 1 43 43 LEU HA H 1 4.320 0.007 . 1 . . . A 43 LEU HA . 19431 1 480 . 1 1 43 43 LEU HB2 H 1 1.863 0.007 . 2 . . . A 43 LEU HB2 . 19431 1 481 . 1 1 43 43 LEU HB3 H 1 1.371 0.007 . 2 . . . A 43 LEU HB3 . 19431 1 482 . 1 1 43 43 LEU HG H 1 1.610 0.007 . 1 . . . A 43 LEU HG . 19431 1 483 . 1 1 43 43 LEU HD11 H 1 0.797 0.007 . 1 . . . A 43 LEU HD11 . 19431 1 484 . 1 1 43 43 LEU HD12 H 1 0.797 0.007 . 1 . . . A 43 LEU HD12 . 19431 1 485 . 1 1 43 43 LEU HD13 H 1 0.797 0.007 . 1 . . . A 43 LEU HD13 . 19431 1 486 . 1 1 43 43 LEU HD21 H 1 1.025 0.007 . 2 . . . A 43 LEU HD21 . 19431 1 487 . 1 1 43 43 LEU HD22 H 1 1.025 0.007 . 2 . . . A 43 LEU HD22 . 19431 1 488 . 1 1 43 43 LEU HD23 H 1 1.025 0.007 . 2 . . . A 43 LEU HD23 . 19431 1 489 . 1 1 43 43 LEU CA C 13 52.423 0.172 . 1 . . . A 43 LEU CA . 19431 1 490 . 1 1 43 43 LEU CB C 13 40.023 0.172 . 1 . . . A 43 LEU CB . 19431 1 491 . 1 1 43 43 LEU CG C 13 25.002 0.172 . 1 . . . A 43 LEU CG . 19431 1 492 . 1 1 43 43 LEU CD1 C 13 20.224 0.172 . 2 . . . A 43 LEU CD1 . 19431 1 493 . 1 1 43 43 LEU CD2 C 13 23.379 0.172 . 2 . . . A 43 LEU CD2 . 19431 1 494 . 1 1 43 43 LEU N N 15 119.134 0.125 . 1 . . . A 43 LEU N . 19431 1 495 . 1 1 44 44 GLN H H 1 7.866 0.007 . 1 . . . A 44 GLN H . 19431 1 496 . 1 1 44 44 GLN HA H 1 3.466 0.007 . 1 . . . A 44 GLN HA . 19431 1 497 . 1 1 44 44 GLN HB2 H 1 1.865 0.007 . 2 . . . A 44 GLN HB2 . 19431 1 498 . 1 1 44 44 GLN HB3 H 1 1.919 0.007 . 2 . . . A 44 GLN HB3 . 19431 1 499 . 1 1 44 44 GLN HG2 H 1 2.350 0.007 . 2 . . . A 44 GLN HG2 . 19431 1 500 . 1 1 44 44 GLN HG3 H 1 2.550 0.007 . 2 . . . A 44 GLN HG3 . 19431 1 501 . 1 1 44 44 GLN HE21 H 1 6.897 0.007 . 2 . . . A 44 GLN HE21 . 19431 1 502 . 1 1 44 44 GLN HE22 H 1 7.471 0.007 . 2 . . . A 44 GLN HE22 . 19431 1 503 . 1 1 44 44 GLN CA C 13 57.437 0.172 . 1 . . . A 44 GLN CA . 19431 1 504 . 1 1 44 44 GLN CB C 13 25.394 0.172 . 1 . . . A 44 GLN CB . 19431 1 505 . 1 1 44 44 GLN CG C 13 32.059 0.172 . 1 . . . A 44 GLN CG . 19431 1 506 . 1 1 44 44 GLN N N 15 119.455 0.125 . 1 . . . A 44 GLN N . 19431 1 507 . 1 1 44 44 GLN NE2 N 15 112.566 0.125 . 1 . . . A 44 GLN NE2 . 19431 1 508 . 1 1 45 45 SER H H 1 7.797 0.007 . 1 . . . A 45 SER H . 19431 1 509 . 1 1 45 45 SER HA H 1 4.211 0.007 . 1 . . . A 45 SER HA . 19431 1 510 . 1 1 45 45 SER HB2 H 1 3.875 0.007 . 2 . . . A 45 SER HB2 . 19431 1 511 . 1 1 45 45 SER HB3 H 1 3.945 0.007 . 2 . . . A 45 SER HB3 . 19431 1 512 . 1 1 45 45 SER CA C 13 57.621 0.172 . 1 . . . A 45 SER CA . 19431 1 513 . 1 1 45 45 SER CB C 13 60.094 0.172 . 1 . . . A 45 SER CB . 19431 1 514 . 1 1 45 45 SER N N 15 110.605 0.125 . 1 . . . A 45 SER N . 19431 1 515 . 1 1 46 46 SER H H 1 7.567 0.007 . 1 . . . A 46 SER H . 19431 1 516 . 1 1 46 46 SER HA H 1 4.473 0.007 . 1 . . . A 46 SER HA . 19431 1 517 . 1 1 46 46 SER HB2 H 1 3.916 0.007 . 2 . . . A 46 SER HB2 . 19431 1 518 . 1 1 46 46 SER HB3 H 1 3.822 0.007 . 2 . . . A 46 SER HB3 . 19431 1 519 . 1 1 46 46 SER CA C 13 55.739 0.172 . 1 . . . A 46 SER CA . 19431 1 520 . 1 1 46 46 SER CB C 13 61.628 0.172 . 1 . . . A 46 SER CB . 19431 1 521 . 1 1 46 46 SER N N 15 115.075 0.125 . 1 . . . A 46 SER N . 19431 1 522 . 1 1 47 47 LEU H H 1 7.074 0.007 . 1 . . . A 47 LEU H . 19431 1 523 . 1 1 47 47 LEU HA H 1 4.334 0.007 . 1 . . . A 47 LEU HA . 19431 1 524 . 1 1 47 47 LEU HB2 H 1 1.405 0.007 . 1 . . . A 47 LEU HB2 . 19431 1 525 . 1 1 47 47 LEU HB3 H 1 1.405 0.007 . 1 . . . A 47 LEU QB . 19431 1 526 . 1 1 47 47 LEU HG H 1 1.278 0.007 . 1 . . . A 47 LEU HG . 19431 1 527 . 1 1 47 47 LEU HD11 H 1 0.104 0.007 . 1 . . . A 47 LEU HD11 . 19431 1 528 . 1 1 47 47 LEU HD12 H 1 0.104 0.007 . 1 . . . A 47 LEU HD12 . 19431 1 529 . 1 1 47 47 LEU HD13 H 1 0.104 0.007 . 1 . . . A 47 LEU HD13 . 19431 1 530 . 1 1 47 47 LEU HD21 H 1 -0.231 0.007 . 2 . . . A 47 LEU HD21 . 19431 1 531 . 1 1 47 47 LEU HD22 H 1 -0.231 0.007 . 2 . . . A 47 LEU HD22 . 19431 1 532 . 1 1 47 47 LEU HD23 H 1 -0.231 0.007 . 2 . . . A 47 LEU HD23 . 19431 1 533 . 1 1 47 47 LEU CA C 13 52.040 0.172 . 1 . . . A 47 LEU CA . 19431 1 534 . 1 1 47 47 LEU CB C 13 39.810 0.172 . 1 . . . A 47 LEU CB . 19431 1 535 . 1 1 47 47 LEU CG C 13 23.425 0.172 . 1 . . . A 47 LEU CG . 19431 1 536 . 1 1 47 47 LEU CD1 C 13 20.166 0.172 . 1 . . . A 47 LEU CD1 . 19431 1 537 . 1 1 47 47 LEU CD2 C 13 22.249 0.172 . 2 . . . A 47 LEU CD2 . 19431 1 538 . 1 1 47 47 LEU N N 15 124.984 0.125 . 1 . . . A 47 LEU N . 19431 1 539 . 1 1 48 48 THR H H 1 7.807 0.007 . 1 . . . A 48 THR H . 19431 1 540 . 1 1 48 48 THR HA H 1 4.665 0.007 . 1 . . . A 48 THR HA . 19431 1 541 . 1 1 48 48 THR HB H 1 4.601 0.007 . 1 . . . A 48 THR HB . 19431 1 542 . 1 1 48 48 THR HG21 H 1 1.213 0.007 . 1 . . . A 48 THR HG21 . 19431 1 543 . 1 1 48 48 THR HG22 H 1 1.213 0.007 . 1 . . . A 48 THR HG22 . 19431 1 544 . 1 1 48 48 THR HG23 H 1 1.213 0.007 . 1 . . . A 48 THR HG23 . 19431 1 545 . 1 1 48 48 THR CA C 13 56.718 0.172 . 1 . . . A 48 THR CA . 19431 1 546 . 1 1 48 48 THR CB C 13 69.103 0.172 . 1 . . . A 48 THR CB . 19431 1 547 . 1 1 48 48 THR CG2 C 13 19.235 0.172 . 1 . . . A 48 THR CG2 . 19431 1 548 . 1 1 48 48 THR N N 15 111.152 0.125 . 1 . . . A 48 THR N . 19431 1 549 . 1 1 49 49 GLU H H 1 9.005 0.007 . 1 . . . A 49 GLU H . 19431 1 550 . 1 1 49 49 GLU HA H 1 3.194 0.007 . 1 . . . A 49 GLU HA . 19431 1 551 . 1 1 49 49 GLU HB2 H 1 1.403 0.007 . 2 . . . A 49 GLU HB2 . 19431 1 552 . 1 1 49 49 GLU HB3 H 1 1.612 0.007 . 2 . . . A 49 GLU HB3 . 19431 1 553 . 1 1 49 49 GLU HG2 H 1 1.832 0.007 . 2 . . . A 49 GLU HG2 . 19431 1 554 . 1 1 49 49 GLU HG3 H 1 1.567 0.007 . 2 . . . A 49 GLU HG3 . 19431 1 555 . 1 1 49 49 GLU CA C 13 56.770 0.172 . 1 . . . A 49 GLU CA . 19431 1 556 . 1 1 49 49 GLU CB C 13 26.148 0.172 . 1 . . . A 49 GLU CB . 19431 1 557 . 1 1 49 49 GLU CG C 13 33.628 0.172 . 1 . . . A 49 GLU CG . 19431 1 558 . 1 1 49 49 GLU N N 15 124.552 0.125 . 1 . . . A 49 GLU N . 19431 1 559 . 1 1 50 50 GLU H H 1 8.574 0.007 . 1 . . . A 50 GLU H . 19431 1 560 . 1 1 50 50 GLU HA H 1 4.000 0.007 . 1 . . . A 50 GLU HA . 19431 1 561 . 1 1 50 50 GLU HB2 H 1 2.010 0.007 . 2 . . . A 50 GLU HB2 . 19431 1 562 . 1 1 50 50 GLU HB3 H 1 1.885 0.007 . 2 . . . A 50 GLU HB3 . 19431 1 563 . 1 1 50 50 GLU HG2 H 1 2.259 0.007 . 1 . . . A 50 GLU HG2 . 19431 1 564 . 1 1 50 50 GLU HG3 H 1 2.259 0.007 . 1 . . . A 50 GLU QG . 19431 1 565 . 1 1 50 50 GLU CA C 13 57.357 0.172 . 1 . . . A 50 GLU CA . 19431 1 566 . 1 1 50 50 GLU CB C 13 26.511 0.172 . 1 . . . A 50 GLU CB . 19431 1 567 . 1 1 50 50 GLU CG C 13 33.728 0.172 . 1 . . . A 50 GLU CG . 19431 1 568 . 1 1 50 50 GLU N N 15 118.615 0.125 . 1 . . . A 50 GLU N . 19431 1 569 . 1 1 51 51 SER H H 1 7.981 0.007 . 1 . . . A 51 SER H . 19431 1 570 . 1 1 51 51 SER HA H 1 4.256 0.007 . 1 . . . A 51 SER HA . 19431 1 571 . 1 1 51 51 SER HB2 H 1 4.065 0.007 . 1 . . . A 51 SER HB2 . 19431 1 572 . 1 1 51 51 SER HB3 H 1 4.065 0.007 . 1 . . . A 51 SER QB . 19431 1 573 . 1 1 51 51 SER CA C 13 58.825 0.172 . 1 . . . A 51 SER CA . 19431 1 574 . 1 1 51 51 SER CB C 13 59.884 0.172 . 1 . . . A 51 SER CB . 19431 1 575 . 1 1 51 51 SER N N 15 116.380 0.125 . 1 . . . A 51 SER N . 19431 1 576 . 1 1 52 52 TYR H H 1 7.521 0.007 . 1 . . . A 52 TYR H . 19431 1 577 . 1 1 52 52 TYR HB2 H 1 2.962 0.007 . 2 . . . A 52 TYR HB2 . 19431 1 578 . 1 1 52 52 TYR HB3 H 1 2.922 0.007 . 2 . . . A 52 TYR HB3 . 19431 1 579 . 1 1 52 52 TYR HD1 H 1 6.782 0.007 . 3 . . . A 52 TYR HD1 . 19431 1 580 . 1 1 52 52 TYR HD2 H 1 6.782 0.007 . 3 . . . A 52 TYR HD2 . 19431 1 581 . 1 1 52 52 TYR HE1 H 1 6.584 0.007 . 3 . . . A 52 TYR HE1 . 19431 1 582 . 1 1 52 52 TYR HE2 H 1 6.584 0.007 . 3 . . . A 52 TYR HE2 . 19431 1 583 . 1 1 52 52 TYR CB C 13 36.647 0.172 . 1 . . . A 52 TYR CB . 19431 1 584 . 1 1 52 52 TYR CD1 C 13 130.480 0.172 . 3 . . . A 52 TYR CD1 . 19431 1 585 . 1 1 52 52 TYR CE1 C 13 114.863 0.172 . 3 . . . A 52 TYR CE1 . 19431 1 586 . 1 1 52 52 TYR N N 15 125.611 0.125 . 1 . . . A 52 TYR N . 19431 1 587 . 1 1 53 53 ASP H H 1 8.900 0.007 . 1 . . . A 53 ASP H . 19431 1 588 . 1 1 53 53 ASP HA H 1 4.115 0.007 . 1 . . . A 53 ASP HA . 19431 1 589 . 1 1 53 53 ASP HB2 H 1 2.662 0.007 . 2 . . . A 53 ASP HB2 . 19431 1 590 . 1 1 53 53 ASP HB3 H 1 2.528 0.007 . 2 . . . A 53 ASP HB3 . 19431 1 591 . 1 1 53 53 ASP CA C 13 54.553 0.172 . 1 . . . A 53 ASP CA . 19431 1 592 . 1 1 53 53 ASP CB C 13 37.477 0.172 . 1 . . . A 53 ASP CB . 19431 1 593 . 1 1 53 53 ASP N N 15 119.653 0.125 . 1 . . . A 53 ASP N . 19431 1 594 . 1 1 54 54 SER H H 1 7.946 0.007 . 1 . . . A 54 SER H . 19431 1 595 . 1 1 54 54 SER HA H 1 3.946 0.007 . 1 . . . A 54 SER HA . 19431 1 596 . 1 1 54 54 SER HB2 H 1 3.911 0.007 . 2 . . . A 54 SER HB2 . 19431 1 597 . 1 1 54 54 SER HB3 H 1 4.063 0.007 . 2 . . . A 54 SER HB3 . 19431 1 598 . 1 1 54 54 SER CA C 13 59.741 0.172 . 1 . . . A 54 SER CA . 19431 1 599 . 1 1 54 54 SER CB C 13 59.750 0.172 . 1 . . . A 54 SER CB . 19431 1 600 . 1 1 54 54 SER N N 15 114.883 0.125 . 1 . . . A 54 SER N . 19431 1 601 . 1 1 55 55 TYR H H 1 7.207 0.007 . 1 . . . A 55 TYR H . 19431 1 602 . 1 1 55 55 TYR HA H 1 4.361 0.007 . 1 . . . A 55 TYR HA . 19431 1 603 . 1 1 55 55 TYR HB2 H 1 3.272 0.007 . 2 . . . A 55 TYR HB2 . 19431 1 604 . 1 1 55 55 TYR HB3 H 1 3.088 0.007 . 2 . . . A 55 TYR HB3 . 19431 1 605 . 1 1 55 55 TYR HD1 H 1 6.805 0.007 . 3 . . . A 55 TYR HD1 . 19431 1 606 . 1 1 55 55 TYR HD2 H 1 6.805 0.007 . 3 . . . A 55 TYR HD2 . 19431 1 607 . 1 1 55 55 TYR HE1 H 1 6.767 0.007 . 3 . . . A 55 TYR HE1 . 19431 1 608 . 1 1 55 55 TYR HE2 H 1 6.767 0.007 . 3 . . . A 55 TYR HE2 . 19431 1 609 . 1 1 55 55 TYR CA C 13 57.213 0.172 . 1 . . . A 55 TYR CA . 19431 1 610 . 1 1 55 55 TYR CB C 13 34.024 0.172 . 1 . . . A 55 TYR CB . 19431 1 611 . 1 1 55 55 TYR CD1 C 13 131.077 0.172 . 3 . . . A 55 TYR CD1 . 19431 1 612 . 1 1 55 55 TYR CE1 C 13 115.366 0.172 . 3 . . . A 55 TYR CE1 . 19431 1 613 . 1 1 55 55 TYR N N 15 123.933 0.125 . 1 . . . A 55 TYR N . 19431 1 614 . 1 1 56 56 LEU H H 1 8.163 0.007 . 1 . . . A 56 LEU H . 19431 1 615 . 1 1 56 56 LEU HA H 1 3.252 0.007 . 1 . . . A 56 LEU HA . 19431 1 616 . 1 1 56 56 LEU HB2 H 1 1.721 0.007 . 2 . . . A 56 LEU HB2 . 19431 1 617 . 1 1 56 56 LEU HB3 H 1 1.050 0.007 . 2 . . . A 56 LEU HB3 . 19431 1 618 . 1 1 56 56 LEU HG H 1 0.981 0.007 . 1 . . . A 56 LEU HG . 19431 1 619 . 1 1 56 56 LEU HD11 H 1 0.595 0.007 . 1 . . . A 56 LEU HD11 . 19431 1 620 . 1 1 56 56 LEU HD12 H 1 0.595 0.007 . 1 . . . A 56 LEU HD12 . 19431 1 621 . 1 1 56 56 LEU HD13 H 1 0.595 0.007 . 1 . . . A 56 LEU HD13 . 19431 1 622 . 1 1 56 56 LEU HD21 H 1 0.422 0.007 . 2 . . . A 56 LEU HD21 . 19431 1 623 . 1 1 56 56 LEU HD22 H 1 0.422 0.007 . 2 . . . A 56 LEU HD22 . 19431 1 624 . 1 1 56 56 LEU HD23 H 1 0.422 0.007 . 2 . . . A 56 LEU HD23 . 19431 1 625 . 1 1 56 56 LEU CA C 13 54.681 0.172 . 1 . . . A 56 LEU CA . 19431 1 626 . 1 1 56 56 LEU CB C 13 38.151 0.172 . 1 . . . A 56 LEU CB . 19431 1 627 . 1 1 56 56 LEU CG C 13 23.087 0.172 . 1 . . . A 56 LEU CG . 19431 1 628 . 1 1 56 56 LEU CD1 C 13 23.384 0.172 . 1 . . . A 56 LEU CD1 . 19431 1 629 . 1 1 56 56 LEU CD2 C 13 19.840 0.172 . 2 . . . A 56 LEU CD2 . 19431 1 630 . 1 1 56 56 LEU N N 15 119.758 0.125 . 1 . . . A 56 LEU N . 19431 1 631 . 1 1 57 57 LYS H H 1 7.733 0.007 . 1 . . . A 57 LYS H . 19431 1 632 . 1 1 57 57 LYS HA H 1 3.852 0.007 . 1 . . . A 57 LYS HA . 19431 1 633 . 1 1 57 57 LYS HB2 H 1 1.713 0.007 . 2 . . . A 57 LYS HB2 . 19431 1 634 . 1 1 57 57 LYS HB3 H 1 1.794 0.007 . 2 . . . A 57 LYS HB3 . 19431 1 635 . 1 1 57 57 LYS HG2 H 1 1.437 0.007 . 2 . . . A 57 LYS HG2 . 19431 1 636 . 1 1 57 57 LYS HG3 H 1 1.355 0.007 . 2 . . . A 57 LYS HG3 . 19431 1 637 . 1 1 57 57 LYS HD2 H 1 1.488 0.007 . 2 . . . A 57 LYS HD2 . 19431 1 638 . 1 1 57 57 LYS HD3 H 1 1.552 0.007 . 2 . . . A 57 LYS HD3 . 19431 1 639 . 1 1 57 57 LYS HE2 H 1 2.838 0.007 . 2 . . . A 57 LYS HE2 . 19431 1 640 . 1 1 57 57 LYS CA C 13 56.090 0.172 . 1 . . . A 57 LYS CA . 19431 1 641 . 1 1 57 57 LYS CB C 13 29.683 0.172 . 1 . . . A 57 LYS CB . 19431 1 642 . 1 1 57 57 LYS CG C 13 22.748 0.172 . 1 . . . A 57 LYS CG . 19431 1 643 . 1 1 57 57 LYS CD C 13 26.152 0.172 . 1 . . . A 57 LYS CD . 19431 1 644 . 1 1 57 57 LYS CE C 13 39.574 0.172 . 1 . . . A 57 LYS CE . 19431 1 645 . 1 1 57 57 LYS N N 15 118.487 0.125 . 1 . . . A 57 LYS N . 19431 1 646 . 1 1 58 58 ILE H H 1 7.189 0.007 . 1 . . . A 58 ILE H . 19431 1 647 . 1 1 58 58 ILE HA H 1 3.591 0.007 . 1 . . . A 58 ILE HA . 19431 1 648 . 1 1 58 58 ILE HB H 1 1.908 0.007 . 1 . . . A 58 ILE HB . 19431 1 649 . 1 1 58 58 ILE HG12 H 1 1.582 0.007 . 2 . . . A 58 ILE HG12 . 19431 1 650 . 1 1 58 58 ILE HG13 H 1 1.063 0.007 . 2 . . . A 58 ILE HG13 . 19431 1 651 . 1 1 58 58 ILE HG21 H 1 0.705 0.007 . 1 . . . A 58 ILE HG21 . 19431 1 652 . 1 1 58 58 ILE HG22 H 1 0.705 0.007 . 1 . . . A 58 ILE HG22 . 19431 1 653 . 1 1 58 58 ILE HG23 H 1 0.705 0.007 . 1 . . . A 58 ILE HG23 . 19431 1 654 . 1 1 58 58 ILE HD11 H 1 0.779 0.007 . 1 . . . A 58 ILE HD11 . 19431 1 655 . 1 1 58 58 ILE HD12 H 1 0.779 0.007 . 1 . . . A 58 ILE HD12 . 19431 1 656 . 1 1 58 58 ILE HD13 H 1 0.779 0.007 . 1 . . . A 58 ILE HD13 . 19431 1 657 . 1 1 58 58 ILE CA C 13 61.366 0.172 . 1 . . . A 58 ILE CA . 19431 1 658 . 1 1 58 58 ILE CB C 13 35.144 0.172 . 1 . . . A 58 ILE CB . 19431 1 659 . 1 1 58 58 ILE CG1 C 13 25.966 0.172 . 1 . . . A 58 ILE CG1 . 19431 1 660 . 1 1 58 58 ILE CG2 C 13 14.808 0.172 . 1 . . . A 58 ILE CG2 . 19431 1 661 . 1 1 58 58 ILE CD1 C 13 10.213 0.172 . 1 . . . A 58 ILE CD1 . 19431 1 662 . 1 1 58 58 ILE N N 15 120.887 0.125 . 1 . . . A 58 ILE N . 19431 1 663 . 1 1 59 59 LEU H H 1 8.314 0.007 . 1 . . . A 59 LEU H . 19431 1 664 . 1 1 59 59 LEU HA H 1 3.437 0.007 . 1 . . . A 59 LEU HA . 19431 1 665 . 1 1 59 59 LEU HB2 H 1 1.372 0.007 . 2 . . . A 59 LEU HB2 . 19431 1 666 . 1 1 59 59 LEU HB3 H 1 0.894 0.007 . 2 . . . A 59 LEU HB3 . 19431 1 667 . 1 1 59 59 LEU HG H 1 1.148 0.007 . 1 . . . A 59 LEU HG . 19431 1 668 . 1 1 59 59 LEU HD11 H 1 0.715 0.007 . 2 . . . A 59 LEU HD11 . 19431 1 669 . 1 1 59 59 LEU HD12 H 1 0.715 0.007 . 2 . . . A 59 LEU HD12 . 19431 1 670 . 1 1 59 59 LEU HD13 H 1 0.715 0.007 . 2 . . . A 59 LEU HD13 . 19431 1 671 . 1 1 59 59 LEU HD21 H 1 0.754 0.007 . 2 . . . A 59 LEU HD21 . 19431 1 672 . 1 1 59 59 LEU HD22 H 1 0.754 0.007 . 2 . . . A 59 LEU HD22 . 19431 1 673 . 1 1 59 59 LEU HD23 H 1 0.754 0.007 . 2 . . . A 59 LEU HD23 . 19431 1 674 . 1 1 59 59 LEU CA C 13 54.847 0.172 . 1 . . . A 59 LEU CA . 19431 1 675 . 1 1 59 59 LEU CB C 13 39.071 0.172 . 1 . . . A 59 LEU CB . 19431 1 676 . 1 1 59 59 LEU CG C 13 24.076 0.172 . 1 . . . A 59 LEU CG . 19431 1 677 . 1 1 59 59 LEU CD1 C 13 20.890 0.172 . 2 . . . A 59 LEU CD1 . 19431 1 678 . 1 1 59 59 LEU CD2 C 13 22.284 0.172 . 2 . . . A 59 LEU CD2 . 19431 1 679 . 1 1 59 59 LEU N N 15 122.273 0.125 . 1 . . . A 59 LEU N . 19431 1 680 . 1 1 60 60 GLU H H 1 8.004 0.007 . 1 . . . A 60 GLU H . 19431 1 681 . 1 1 60 60 GLU HA H 1 3.810 0.007 . 1 . . . A 60 GLU HA . 19431 1 682 . 1 1 60 60 GLU HB2 H 1 2.025 0.007 . 2 . . . A 60 GLU HB2 . 19431 1 683 . 1 1 60 60 GLU HB3 H 1 1.896 0.007 . 2 . . . A 60 GLU HB3 . 19431 1 684 . 1 1 60 60 GLU HG2 H 1 2.233 0.007 . 2 . . . A 60 GLU HG2 . 19431 1 685 . 1 1 60 60 GLU HG3 H 1 2.160 0.007 . 2 . . . A 60 GLU HG3 . 19431 1 686 . 1 1 60 60 GLU CA C 13 56.156 0.172 . 1 . . . A 60 GLU CA . 19431 1 687 . 1 1 60 60 GLU CB C 13 26.820 0.172 . 1 . . . A 60 GLU CB . 19431 1 688 . 1 1 60 60 GLU CG C 13 33.484 0.172 . 1 . . . A 60 GLU CG . 19431 1 689 . 1 1 60 60 GLU N N 15 118.591 0.125 . 1 . . . A 60 GLU N . 19431 1 690 . 1 1 61 61 LYS H H 1 6.940 0.007 . 1 . . . A 61 LYS H . 19431 1 691 . 1 1 61 61 LYS HA H 1 4.029 0.007 . 1 . . . A 61 LYS HA . 19431 1 692 . 1 1 61 61 LYS HB2 H 1 1.745 0.007 . 2 . . . A 61 LYS HB2 . 19431 1 693 . 1 1 61 61 LYS HB3 H 1 1.788 0.007 . 2 . . . A 61 LYS HB3 . 19431 1 694 . 1 1 61 61 LYS HG2 H 1 1.484 0.007 . 2 . . . A 61 LYS HG2 . 19431 1 695 . 1 1 61 61 LYS HG3 H 1 1.392 0.007 . 2 . . . A 61 LYS HG3 . 19431 1 696 . 1 1 61 61 LYS HD2 H 1 1.554 0.007 . 1 . . . A 61 LYS HD2 . 19431 1 697 . 1 1 61 61 LYS HD3 H 1 1.554 0.007 . 1 . . . A 61 LYS QD . 19431 1 698 . 1 1 61 61 LYS HE2 H 1 2.884 0.007 . 1 . . . A 61 LYS HE2 . 19431 1 699 . 1 1 61 61 LYS HE3 H 1 2.884 0.007 . 1 . . . A 61 LYS QE . 19431 1 700 . 1 1 61 61 LYS CA C 13 54.164 0.172 . 1 . . . A 61 LYS CA . 19431 1 701 . 1 1 61 61 LYS CB C 13 29.581 0.172 . 1 . . . A 61 LYS CB . 19431 1 702 . 1 1 61 61 LYS CG C 13 22.239 0.172 . 1 . . . A 61 LYS CG . 19431 1 703 . 1 1 61 61 LYS CD C 13 26.302 0.172 . 1 . . . A 61 LYS CD . 19431 1 704 . 1 1 61 61 LYS CE C 13 39.800 0.172 . 1 . . . A 61 LYS CE . 19431 1 705 . 1 1 61 61 LYS N N 15 115.698 0.125 . 1 . . . A 61 LYS N . 19431 1 706 . 1 1 62 62 GLN H H 1 7.512 0.007 . 1 . . . A 62 GLN H . 19431 1 707 . 1 1 62 62 GLN HA H 1 3.851 0.007 . 1 . . . A 62 GLN HA . 19431 1 708 . 1 1 62 62 GLN HB2 H 1 1.792 0.007 . 2 . . . A 62 GLN HB2 . 19431 1 709 . 1 1 62 62 GLN HB3 H 1 1.125 0.007 . 2 . . . A 62 GLN HB3 . 19431 1 710 . 1 1 62 62 GLN HG2 H 1 1.387 0.007 . 2 . . . A 62 GLN HG2 . 19431 1 711 . 1 1 62 62 GLN HG3 H 1 2.235 0.007 . 2 . . . A 62 GLN HG3 . 19431 1 712 . 1 1 62 62 GLN HE21 H 1 6.439 0.007 . 2 . . . A 62 GLN HE21 . 19431 1 713 . 1 1 62 62 GLN HE22 H 1 6.314 0.007 . 2 . . . A 62 GLN HE22 . 19431 1 714 . 1 1 62 62 GLN CA C 13 52.258 0.172 . 1 . . . A 62 GLN CA . 19431 1 715 . 1 1 62 62 GLN CB C 13 25.186 0.172 . 1 . . . A 62 GLN CB . 19431 1 716 . 1 1 62 62 GLN CG C 13 29.706 0.172 . 1 . . . A 62 GLN CG . 19431 1 717 . 1 1 62 62 GLN N N 15 114.863 0.125 . 1 . . . A 62 GLN N . 19431 1 718 . 1 1 62 62 GLN NE2 N 15 109.324 0.125 . 1 . . . A 62 GLN NE2 . 19431 1 719 . 1 1 63 63 GLY H H 1 6.883 0.007 . 1 . . . A 63 GLY H . 19431 1 720 . 1 1 63 63 GLY HA2 H 1 4.175 0.007 . 2 . . . A 63 GLY HA2 . 19431 1 721 . 1 1 63 63 GLY HA3 H 1 3.723 0.007 . 2 . . . A 63 GLY HA3 . 19431 1 722 . 1 1 63 63 GLY CA C 13 41.815 0.172 . 1 . . . A 63 GLY CA . 19431 1 723 . 1 1 63 63 GLY N N 15 101.724 0.125 . 1 . . . A 63 GLY N . 19431 1 724 . 1 1 64 64 GLU H H 1 8.598 0.007 . 1 . . . A 64 GLU H . 19431 1 725 . 1 1 64 64 GLU HA H 1 4.137 0.007 . 1 . . . A 64 GLU HA . 19431 1 726 . 1 1 64 64 GLU HB2 H 1 1.890 0.007 . 2 . . . A 64 GLU HB2 . 19431 1 727 . 1 1 64 64 GLU HB3 H 1 1.969 0.007 . 2 . . . A 64 GLU HB3 . 19431 1 728 . 1 1 64 64 GLU HG2 H 1 2.344 0.007 . 2 . . . A 64 GLU HG2 . 19431 1 729 . 1 1 64 64 GLU HG3 H 1 2.392 0.007 . 2 . . . A 64 GLU HG3 . 19431 1 730 . 1 1 64 64 GLU CA C 13 54.598 0.172 . 1 . . . A 64 GLU CA . 19431 1 731 . 1 1 64 64 GLU CB C 13 28.312 0.172 . 1 . . . A 64 GLU CB . 19431 1 732 . 1 1 64 64 GLU CG C 13 33.658 0.172 . 1 . . . A 64 GLU CG . 19431 1 733 . 1 1 64 64 GLU N N 15 118.731 0.125 . 1 . . . A 64 GLU N . 19431 1 734 . 1 1 65 65 PHE H H 1 8.877 0.007 . 1 . . . A 65 PHE H . 19431 1 735 . 1 1 65 65 PHE HA H 1 3.825 0.007 . 1 . . . A 65 PHE HA . 19431 1 736 . 1 1 65 65 PHE HB2 H 1 2.728 0.007 . 2 . . . A 65 PHE HB2 . 19431 1 737 . 1 1 65 65 PHE HB3 H 1 3.044 0.007 . 2 . . . A 65 PHE HB3 . 19431 1 738 . 1 1 65 65 PHE HD1 H 1 6.609 0.007 . 3 . . . A 65 PHE HD1 . 19431 1 739 . 1 1 65 65 PHE HD2 H 1 6.609 0.007 . 3 . . . A 65 PHE HD2 . 19431 1 740 . 1 1 65 65 PHE HE1 H 1 6.314 0.007 . 3 . . . A 65 PHE HE1 . 19431 1 741 . 1 1 65 65 PHE HE2 H 1 6.314 0.007 . 3 . . . A 65 PHE HE2 . 19431 1 742 . 1 1 65 65 PHE CA C 13 57.419 0.172 . 1 . . . A 65 PHE CA . 19431 1 743 . 1 1 65 65 PHE CB C 13 36.666 0.172 . 1 . . . A 65 PHE CB . 19431 1 744 . 1 1 65 65 PHE CD1 C 13 129.090 0.172 . 3 . . . A 65 PHE CD1 . 19431 1 745 . 1 1 65 65 PHE CD2 C 13 129.092 0.172 . 3 . . . A 65 PHE CD2 . 19431 1 746 . 1 1 65 65 PHE CE1 C 13 128.420 0.172 . 3 . . . A 65 PHE CE1 . 19431 1 747 . 1 1 65 65 PHE N N 15 123.366 0.125 . 1 . . . A 65 PHE N . 19431 1 748 . 1 1 66 66 LYS H H 1 8.112 0.007 . 1 . . . A 66 LYS H . 19431 1 749 . 1 1 66 66 LYS HA H 1 4.168 0.007 . 1 . . . A 66 LYS HA . 19431 1 750 . 1 1 66 66 LYS HB2 H 1 1.090 0.007 . 2 . . . A 66 LYS HB2 . 19431 1 751 . 1 1 66 66 LYS HB3 H 1 1.401 0.007 . 2 . . . A 66 LYS HB3 . 19431 1 752 . 1 1 66 66 LYS HG2 H 1 1.100 0.007 . 1 . . . A 66 LYS HG2 . 19431 1 753 . 1 1 66 66 LYS HG3 H 1 1.100 0.007 . 1 . . . A 66 LYS QG . 19431 1 754 . 1 1 66 66 LYS HD2 H 1 1.371 0.007 . 1 . . . A 66 LYS HD2 . 19431 1 755 . 1 1 66 66 LYS HD3 H 1 1.371 0.007 . 1 . . . A 66 LYS QD . 19431 1 756 . 1 1 66 66 LYS HE2 H 1 2.674 0.007 . 2 . . . A 66 LYS HE2 . 19431 1 757 . 1 1 66 66 LYS HE3 H 1 2.775 0.007 . 2 . . . A 66 LYS HE3 . 19431 1 758 . 1 1 66 66 LYS CA C 13 53.226 0.172 . 1 . . . A 66 LYS CA . 19431 1 759 . 1 1 66 66 LYS CB C 13 30.293 0.172 . 1 . . . A 66 LYS CB . 19431 1 760 . 1 1 66 66 LYS CG C 13 20.469 0.172 . 1 . . . A 66 LYS CG . 19431 1 761 . 1 1 66 66 LYS CD C 13 25.379 0.172 . 1 . . . A 66 LYS CD . 19431 1 762 . 1 1 66 66 LYS CE C 13 39.206 0.172 . 1 . . . A 66 LYS CE . 19431 1 763 . 1 1 66 66 LYS N N 15 125.336 0.125 . 1 . . . A 66 LYS N . 19431 1 764 . 1 1 67 67 GLU H H 1 6.744 0.007 . 1 . . . A 67 GLU H . 19431 1 765 . 1 1 67 67 GLU HA H 1 4.069 0.007 . 1 . . . A 67 GLU HA . 19431 1 766 . 1 1 67 67 GLU HB2 H 1 2.010 0.007 . 1 . . . A 67 GLU HB2 . 19431 1 767 . 1 1 67 67 GLU HB3 H 1 2.010 0.007 . 1 . . . A 67 GLU QB . 19431 1 768 . 1 1 67 67 GLU HG2 H 1 1.691 0.007 . 2 . . . A 67 GLU HG2 . 19431 1 769 . 1 1 67 67 GLU HG3 H 1 1.794 0.007 . 2 . . . A 67 GLU HG3 . 19431 1 770 . 1 1 67 67 GLU CA C 13 52.907 0.172 . 1 . . . A 67 GLU CA . 19431 1 771 . 1 1 67 67 GLU CB C 13 29.378 0.172 . 1 . . . A 67 GLU CB . 19431 1 772 . 1 1 67 67 GLU CG C 13 32.467 0.172 . 1 . . . A 67 GLU CG . 19431 1 773 . 1 1 67 67 GLU N N 15 112.076 0.125 . 1 . . . A 67 GLU N . 19431 1 774 . 1 1 68 68 PHE H H 1 8.730 0.007 . 1 . . . A 68 PHE H . 19431 1 775 . 1 1 68 68 PHE HB2 H 1 3.007 0.007 . 2 . . . A 68 PHE HB2 . 19431 1 776 . 1 1 68 68 PHE HB3 H 1 3.074 0.007 . 2 . . . A 68 PHE HB3 . 19431 1 777 . 1 1 68 68 PHE HD1 H 1 7.380 0.007 . 3 . . . A 68 PHE HD1 . 19431 1 778 . 1 1 68 68 PHE HD2 H 1 7.380 0.007 . 3 . . . A 68 PHE HD2 . 19431 1 779 . 1 1 68 68 PHE HE1 H 1 7.213 0.007 . 3 . . . A 68 PHE HE1 . 19431 1 780 . 1 1 68 68 PHE HE2 H 1 7.213 0.007 . 3 . . . A 68 PHE HE2 . 19431 1 781 . 1 1 68 68 PHE HZ H 1 7.141 0.007 . 1 . . . A 68 PHE HZ . 19431 1 782 . 1 1 68 68 PHE CB C 13 38.408 0.172 . 1 . . . A 68 PHE CB . 19431 1 783 . 1 1 68 68 PHE CD1 C 13 130.100 0.172 . 3 . . . A 68 PHE CD1 . 19431 1 784 . 1 1 68 68 PHE CD2 C 13 130.099 0.172 . 3 . . . A 68 PHE CD2 . 19431 1 785 . 1 1 68 68 PHE CE1 C 13 129.219 0.172 . 3 . . . A 68 PHE CE1 . 19431 1 786 . 1 1 68 68 PHE CE2 C 13 129.220 0.172 . 3 . . . A 68 PHE CE2 . 19431 1 787 . 1 1 68 68 PHE CZ C 13 127.970 0.172 . 1 . . . A 68 PHE CZ . 19431 1 788 . 1 1 68 68 PHE N N 15 118.706 0.125 . 1 . . . A 68 PHE N . 19431 1 789 . 1 1 69 69 GLY H H 1 9.210 0.007 . 1 . . . A 69 GLY H . 19431 1 790 . 1 1 69 69 GLY HA2 H 1 4.430 0.007 . 2 . . . A 69 GLY HA2 . 19431 1 791 . 1 1 69 69 GLY HA3 H 1 3.486 0.007 . 2 . . . A 69 GLY HA3 . 19431 1 792 . 1 1 69 69 GLY CA C 13 41.353 0.172 . 1 . . . A 69 GLY CA . 19431 1 793 . 1 1 69 69 GLY N N 15 112.889 0.125 . 1 . . . A 69 GLY N . 19431 1 794 . 1 1 70 70 LYS H H 1 8.197 0.007 . 1 . . . A 70 LYS H . 19431 1 795 . 1 1 70 70 LYS HA H 1 4.085 0.007 . 1 . . . A 70 LYS HA . 19431 1 796 . 1 1 70 70 LYS HB2 H 1 1.725 0.007 . 1 . . . A 70 LYS HB2 . 19431 1 797 . 1 1 70 70 LYS HB3 H 1 1.725 0.007 . 1 . . . A 70 LYS QB . 19431 1 798 . 1 1 70 70 LYS HG2 H 1 1.367 0.007 . 1 . . . A 70 LYS HG2 . 19431 1 799 . 1 1 70 70 LYS HG3 H 1 1.367 0.007 . 1 . . . A 70 LYS QG . 19431 1 800 . 1 1 70 70 LYS HD2 H 1 1.589 0.007 . 1 . . . A 70 LYS HD2 . 19431 1 801 . 1 1 70 70 LYS HD3 H 1 1.589 0.007 . 1 . . . A 70 LYS QD . 19431 1 802 . 1 1 70 70 LYS HE2 H 1 2.876 0.007 . 1 . . . A 70 LYS HE2 . 19431 1 803 . 1 1 70 70 LYS HE3 H 1 2.876 0.007 . 1 . . . A 70 LYS QE . 19431 1 804 . 1 1 70 70 LYS CA C 13 54.418 0.172 . 1 . . . A 70 LYS CA . 19431 1 805 . 1 1 70 70 LYS CB C 13 31.197 0.172 . 1 . . . A 70 LYS CB . 19431 1 806 . 1 1 70 70 LYS CG C 13 22.250 0.172 . 1 . . . A 70 LYS CG . 19431 1 807 . 1 1 70 70 LYS CD C 13 26.752 0.172 . 1 . . . A 70 LYS CD . 19431 1 808 . 1 1 70 70 LYS CE C 13 39.570 0.172 . 1 . . . A 70 LYS CE . 19431 1 809 . 1 1 70 70 LYS N N 15 122.409 0.125 . 1 . . . A 70 LYS N . 19431 1 810 . 1 1 71 71 CYS H H 1 8.197 0.007 . 1 . . . A 71 CYS H . 19431 1 811 . 1 1 71 71 CYS HA H 1 5.332 0.007 . 1 . . . A 71 CYS HA . 19431 1 812 . 1 1 71 71 CYS HB2 H 1 2.573 0.007 . 2 . . . A 71 CYS HB2 . 19431 1 813 . 1 1 71 71 CYS HB3 H 1 2.115 0.007 . 2 . . . A 71 CYS HB3 . 19431 1 814 . 1 1 71 71 CYS CA C 13 54.655 0.172 . 1 . . . A 71 CYS CA . 19431 1 815 . 1 1 71 71 CYS CB C 13 28.223 0.172 . 1 . . . A 71 CYS CB . 19431 1 816 . 1 1 71 71 CYS N N 15 118.509 0.125 . 1 . . . A 71 CYS N . 19431 1 817 . 1 1 72 72 THR H H 1 8.719 0.007 . 1 . . . A 72 THR H . 19431 1 818 . 1 1 72 72 THR HA H 1 4.272 0.007 . 1 . . . A 72 THR HA . 19431 1 819 . 1 1 72 72 THR HB H 1 3.920 0.007 . 1 . . . A 72 THR HB . 19431 1 820 . 1 1 72 72 THR HG21 H 1 1.124 0.007 . 1 . . . A 72 THR HG21 . 19431 1 821 . 1 1 72 72 THR HG22 H 1 1.124 0.007 . 1 . . . A 72 THR HG22 . 19431 1 822 . 1 1 72 72 THR HG23 H 1 1.124 0.007 . 1 . . . A 72 THR HG23 . 19431 1 823 . 1 1 72 72 THR CA C 13 58.652 0.172 . 1 . . . A 72 THR CA . 19431 1 824 . 1 1 72 72 THR CB C 13 68.199 0.172 . 1 . . . A 72 THR CB . 19431 1 825 . 1 1 72 72 THR CG2 C 13 18.529 0.172 . 1 . . . A 72 THR CG2 . 19431 1 826 . 1 1 72 72 THR N N 15 120.129 0.125 . 1 . . . A 72 THR N . 19431 1 827 . 1 1 73 73 TYR H H 1 8.483 0.007 . 1 . . . A 73 TYR H . 19431 1 828 . 1 1 73 73 TYR HA H 1 5.034 0.007 . 1 . . . A 73 TYR HA . 19431 1 829 . 1 1 73 73 TYR HB2 H 1 2.971 0.007 . 2 . . . A 73 TYR HB2 . 19431 1 830 . 1 1 73 73 TYR HB3 H 1 2.750 0.007 . 2 . . . A 73 TYR HB3 . 19431 1 831 . 1 1 73 73 TYR HD1 H 1 7.125 0.007 . 3 . . . A 73 TYR HD1 . 19431 1 832 . 1 1 73 73 TYR HD2 H 1 7.125 0.007 . 3 . . . A 73 TYR HD2 . 19431 1 833 . 1 1 73 73 TYR HE1 H 1 6.645 0.007 . 3 . . . A 73 TYR HE1 . 19431 1 834 . 1 1 73 73 TYR HE2 H 1 6.645 0.007 . 3 . . . A 73 TYR HE2 . 19431 1 835 . 1 1 73 73 TYR CA C 13 55.497 0.172 . 1 . . . A 73 TYR CA . 19431 1 836 . 1 1 73 73 TYR CB C 13 38.271 0.172 . 1 . . . A 73 TYR CB . 19431 1 837 . 1 1 73 73 TYR CD1 C 13 130.730 0.172 . 3 . . . A 73 TYR CD1 . 19431 1 838 . 1 1 73 73 TYR CD2 C 13 130.730 0.172 . 3 . . . A 73 TYR CD2 . 19431 1 839 . 1 1 73 73 TYR CE1 C 13 115.960 0.172 . 3 . . . A 73 TYR CE1 . 19431 1 840 . 1 1 73 73 TYR CE2 C 13 115.959 0.172 . 3 . . . A 73 TYR CE2 . 19431 1 841 . 1 1 73 73 TYR N N 15 122.772 0.125 . 1 . . . A 73 TYR N . 19431 1 842 . 1 1 74 74 LEU H H 1 8.277 0.007 . 1 . . . A 74 LEU H . 19431 1 843 . 1 1 74 74 LEU HA H 1 4.466 0.007 . 1 . . . A 74 LEU HA . 19431 1 844 . 1 1 74 74 LEU HB2 H 1 1.648 0.007 . 2 . . . A 74 LEU HB2 . 19431 1 845 . 1 1 74 74 LEU HB3 H 1 1.504 0.007 . 2 . . . A 74 LEU HB3 . 19431 1 846 . 1 1 74 74 LEU HG H 1 1.168 0.007 . 1 . . . A 74 LEU HG . 19431 1 847 . 1 1 74 74 LEU HD11 H 1 0.602 0.007 . 2 . . . A 74 LEU HD11 . 19431 1 848 . 1 1 74 74 LEU HD12 H 1 0.602 0.007 . 2 . . . A 74 LEU HD12 . 19431 1 849 . 1 1 74 74 LEU HD13 H 1 0.602 0.007 . 2 . . . A 74 LEU HD13 . 19431 1 850 . 1 1 74 74 LEU HD21 H 1 0.640 0.007 . 1 . . . A 74 LEU HD21 . 19431 1 851 . 1 1 74 74 LEU HD22 H 1 0.640 0.007 . 1 . . . A 74 LEU HD22 . 19431 1 852 . 1 1 74 74 LEU HD23 H 1 0.640 0.007 . 1 . . . A 74 LEU HD23 . 19431 1 853 . 1 1 74 74 LEU CA C 13 51.805 0.172 . 1 . . . A 74 LEU CA . 19431 1 854 . 1 1 74 74 LEU CB C 13 42.030 0.172 . 1 . . . A 74 LEU CB . 19431 1 855 . 1 1 74 74 LEU CG C 13 24.144 0.172 . 1 . . . A 74 LEU CG . 19431 1 856 . 1 1 74 74 LEU CD1 C 13 22.934 0.172 . 2 . . . A 74 LEU CD1 . 19431 1 857 . 1 1 74 74 LEU CD2 C 13 22.910 0.172 . 1 . . . A 74 LEU CD2 . 19431 1 858 . 1 1 74 74 LEU N N 15 117.980 0.125 . 1 . . . A 74 LEU N . 19431 1 859 . 1 1 75 75 GLY H H 1 7.754 0.007 . 1 . . . A 75 GLY H . 19431 1 860 . 1 1 75 75 GLY HA2 H 1 4.798 0.007 . 2 . . . A 75 GLY HA2 . 19431 1 861 . 1 1 75 75 GLY HA3 H 1 3.745 0.007 . 2 . . . A 75 GLY HA3 . 19431 1 862 . 1 1 75 75 GLY CA C 13 42.799 0.172 . 1 . . . A 75 GLY CA . 19431 1 863 . 1 1 75 75 GLY N N 15 105.257 0.125 . 1 . . . A 75 GLY N . 19431 1 864 . 1 1 76 76 GLN H H 1 8.764 0.007 . 1 . . . A 76 GLN H . 19431 1 865 . 1 1 76 76 GLN HA H 1 4.938 0.007 . 1 . . . A 76 GLN HA . 19431 1 866 . 1 1 76 76 GLN HB2 H 1 1.858 0.007 . 2 . . . A 76 GLN HB2 . 19431 1 867 . 1 1 76 76 GLN HB3 H 1 1.911 0.007 . 2 . . . A 76 GLN HB3 . 19431 1 868 . 1 1 76 76 GLN HG2 H 1 2.101 0.007 . 1 . . . A 76 GLN HG2 . 19431 1 869 . 1 1 76 76 GLN HG3 H 1 2.101 0.007 . 1 . . . A 76 GLN QG . 19431 1 870 . 1 1 76 76 GLN HE21 H 1 7.093 0.007 . 2 . . . A 76 GLN HE21 . 19431 1 871 . 1 1 76 76 GLN HE22 H 1 6.556 0.007 . 2 . . . A 76 GLN HE22 . 19431 1 872 . 1 1 76 76 GLN CA C 13 52.495 0.172 . 1 . . . A 76 GLN CA . 19431 1 873 . 1 1 76 76 GLN CB C 13 30.498 0.172 . 1 . . . A 76 GLN CB . 19431 1 874 . 1 1 76 76 GLN CG C 13 31.479 0.172 . 1 . . . A 76 GLN CG . 19431 1 875 . 1 1 76 76 GLN N N 15 119.071 0.125 . 1 . . . A 76 GLN N . 19431 1 876 . 1 1 76 76 GLN NE2 N 15 109.605 0.125 . 1 . . . A 76 GLN NE2 . 19431 1 877 . 1 1 77 77 ILE H H 1 8.721 0.007 . 1 . . . A 77 ILE H . 19431 1 878 . 1 1 77 77 ILE HA H 1 4.992 0.007 . 1 . . . A 77 ILE HA . 19431 1 879 . 1 1 77 77 ILE HB H 1 1.736 0.007 . 1 . . . A 77 ILE HB . 19431 1 880 . 1 1 77 77 ILE HG12 H 1 1.022 0.007 . 2 . . . A 77 ILE HG12 . 19431 1 881 . 1 1 77 77 ILE HG13 H 1 1.475 0.007 . 2 . . . A 77 ILE HG13 . 19431 1 882 . 1 1 77 77 ILE HG21 H 1 0.767 0.007 . 1 . . . A 77 ILE HG21 . 19431 1 883 . 1 1 77 77 ILE HG22 H 1 0.767 0.007 . 1 . . . A 77 ILE HG22 . 19431 1 884 . 1 1 77 77 ILE HG23 H 1 0.767 0.007 . 1 . . . A 77 ILE HG23 . 19431 1 885 . 1 1 77 77 ILE HD11 H 1 0.824 0.007 . 1 . . . A 77 ILE HD11 . 19431 1 886 . 1 1 77 77 ILE HD12 H 1 0.824 0.007 . 1 . . . A 77 ILE HD12 . 19431 1 887 . 1 1 77 77 ILE HD13 H 1 0.824 0.007 . 1 . . . A 77 ILE HD13 . 19431 1 888 . 1 1 77 77 ILE CA C 13 57.239 0.172 . 1 . . . A 77 ILE CA . 19431 1 889 . 1 1 77 77 ILE CB C 13 36.664 0.172 . 1 . . . A 77 ILE CB . 19431 1 890 . 1 1 77 77 ILE CG1 C 13 24.993 0.172 . 1 . . . A 77 ILE CG1 . 19431 1 891 . 1 1 77 77 ILE CG2 C 13 14.549 0.172 . 1 . . . A 77 ILE CG2 . 19431 1 892 . 1 1 77 77 ILE CD1 C 13 10.245 0.172 . 1 . . . A 77 ILE CD1 . 19431 1 893 . 1 1 77 77 ILE N N 15 123.550 0.125 . 1 . . . A 77 ILE N . 19431 1 894 . 1 1 78 78 LYS H H 1 8.911 0.007 . 1 . . . A 78 LYS H . 19431 1 895 . 1 1 78 78 LYS HA H 1 4.585 0.007 . 1 . . . A 78 LYS HA . 19431 1 896 . 1 1 78 78 LYS HB2 H 1 1.757 0.007 . 2 . . . A 78 LYS HB2 . 19431 1 897 . 1 1 78 78 LYS HB3 H 1 1.613 0.007 . 2 . . . A 78 LYS HB3 . 19431 1 898 . 1 1 78 78 LYS HG2 H 1 1.288 0.007 . 1 . . . A 78 LYS HG2 . 19431 1 899 . 1 1 78 78 LYS HG3 H 1 1.288 0.007 . 1 . . . A 78 LYS QG . 19431 1 900 . 1 1 78 78 LYS HE2 H 1 2.890 0.007 . 1 . . . A 78 LYS HE2 . 19431 1 901 . 1 1 78 78 LYS HE3 H 1 2.890 0.007 . 1 . . . A 78 LYS QE . 19431 1 902 . 1 1 78 78 LYS CA C 13 52.768 0.172 . 1 . . . A 78 LYS CA . 19431 1 903 . 1 1 78 78 LYS CB C 13 32.536 0.172 . 1 . . . A 78 LYS CB . 19431 1 904 . 1 1 78 78 LYS CG C 13 22.221 0.172 . 1 . . . A 78 LYS CG . 19431 1 905 . 1 1 78 78 LYS CE C 13 39.626 0.172 . 1 . . . A 78 LYS CE . 19431 1 906 . 1 1 78 78 LYS N N 15 127.532 0.125 . 1 . . . A 78 LYS N . 19431 1 907 . 1 1 79 79 ASP H H 1 9.423 0.007 . 1 . . . A 79 ASP H . 19431 1 908 . 1 1 79 79 ASP HA H 1 4.168 0.007 . 1 . . . A 79 ASP HA . 19431 1 909 . 1 1 79 79 ASP HB2 H 1 2.827 0.007 . 2 . . . A 79 ASP HB2 . 19431 1 910 . 1 1 79 79 ASP HB3 H 1 2.670 0.007 . 2 . . . A 79 ASP HB3 . 19431 1 911 . 1 1 79 79 ASP CA C 13 53.258 0.172 . 1 . . . A 79 ASP CA . 19431 1 912 . 1 1 79 79 ASP CB C 13 36.826 0.172 . 1 . . . A 79 ASP CB . 19431 1 913 . 1 1 79 79 ASP N N 15 128.019 0.125 . 1 . . . A 79 ASP N . 19431 1 914 . 1 1 80 80 ASN H H 1 8.604 0.007 . 1 . . . A 80 ASN H . 19431 1 915 . 1 1 80 80 ASN HA H 1 4.168 0.007 . 1 . . . A 80 ASN HA . 19431 1 916 . 1 1 80 80 ASN HB2 H 1 2.914 0.007 . 2 . . . A 80 ASN HB2 . 19431 1 917 . 1 1 80 80 ASN HB3 H 1 2.950 0.007 . 2 . . . A 80 ASN HB3 . 19431 1 918 . 1 1 80 80 ASN HD21 H 1 6.855 0.007 . 2 . . . A 80 ASN HD21 . 19431 1 919 . 1 1 80 80 ASN HD22 H 1 7.508 0.007 . 2 . . . A 80 ASN HD22 . 19431 1 920 . 1 1 80 80 ASN CA C 13 51.912 0.172 . 1 . . . A 80 ASN CA . 19431 1 921 . 1 1 80 80 ASN CB C 13 35.506 0.172 . 1 . . . A 80 ASN CB . 19431 1 922 . 1 1 80 80 ASN N N 15 110.608 0.125 . 1 . . . A 80 ASN N . 19431 1 923 . 1 1 80 80 ASN ND2 N 15 113.268 0.125 . 1 . . . A 80 ASN ND2 . 19431 1 924 . 1 1 81 81 LYS H H 1 7.985 0.007 . 1 . . . A 81 LYS H . 19431 1 925 . 1 1 81 81 LYS HA H 1 4.482 0.007 . 1 . . . A 81 LYS HA . 19431 1 926 . 1 1 81 81 LYS HB2 H 1 1.849 0.007 . 2 . . . A 81 LYS HB2 . 19431 1 927 . 1 1 81 81 LYS HB3 H 1 1.510 0.007 . 2 . . . A 81 LYS HB3 . 19431 1 928 . 1 1 81 81 LYS HG2 H 1 1.346 0.007 . 2 . . . A 81 LYS HG2 . 19431 1 929 . 1 1 81 81 LYS HG3 H 1 1.451 0.007 . 2 . . . A 81 LYS HG3 . 19431 1 930 . 1 1 81 81 LYS HD2 H 1 1.736 0.007 . 2 . . . A 81 LYS HD2 . 19431 1 931 . 1 1 81 81 LYS HD3 H 1 1.695 0.007 . 2 . . . A 81 LYS HD3 . 19431 1 932 . 1 1 81 81 LYS CA C 13 52.353 0.172 . 1 . . . A 81 LYS CA . 19431 1 933 . 1 1 81 81 LYS CB C 13 32.119 0.172 . 1 . . . A 81 LYS CB . 19431 1 934 . 1 1 81 81 LYS CG C 13 22.224 0.172 . 1 . . . A 81 LYS CG . 19431 1 935 . 1 1 81 81 LYS CD C 13 26.261 0.172 . 1 . . . A 81 LYS CD . 19431 1 936 . 1 1 81 81 LYS CE C 13 39.776 0.172 . 1 . . . A 81 LYS CE . 19431 1 937 . 1 1 81 81 LYS N N 15 121.116 0.125 . 1 . . . A 81 LYS N . 19431 1 938 . 1 1 82 82 LYS H H 1 8.011 0.007 . 1 . . . A 82 LYS H . 19431 1 939 . 1 1 82 82 LYS HA H 1 4.765 0.007 . 1 . . . A 82 LYS HA . 19431 1 940 . 1 1 82 82 LYS HB2 H 1 1.716 0.007 . 2 . . . A 82 LYS HB2 . 19431 1 941 . 1 1 82 82 LYS HB3 H 1 1.558 0.007 . 2 . . . A 82 LYS HB3 . 19431 1 942 . 1 1 82 82 LYS HG2 H 1 1.290 0.007 . 2 . . . A 82 LYS HG2 . 19431 1 943 . 1 1 82 82 LYS HG3 H 1 1.419 0.007 . 2 . . . A 82 LYS HG3 . 19431 1 944 . 1 1 82 82 LYS HD2 H 1 1.684 0.007 . 2 . . . A 82 LYS HD2 . 19431 1 945 . 1 1 82 82 LYS HD3 H 1 1.733 0.007 . 2 . . . A 82 LYS HD3 . 19431 1 946 . 1 1 82 82 LYS HE2 H 1 2.886 0.007 . 1 . . . A 82 LYS HE2 . 19431 1 947 . 1 1 82 82 LYS HE3 H 1 2.886 0.007 . 1 . . . A 82 LYS QE . 19431 1 948 . 1 1 82 82 LYS CA C 13 52.722 0.172 . 1 . . . A 82 LYS CA . 19431 1 949 . 1 1 82 82 LYS CB C 13 32.934 0.172 . 1 . . . A 82 LYS CB . 19431 1 950 . 1 1 82 82 LYS CG C 13 22.498 0.172 . 1 . . . A 82 LYS CG . 19431 1 951 . 1 1 82 82 LYS CD C 13 26.808 0.172 . 1 . . . A 82 LYS CD . 19431 1 952 . 1 1 82 82 LYS CE C 13 39.596 0.172 . 1 . . . A 82 LYS CE . 19431 1 953 . 1 1 82 82 LYS N N 15 119.259 0.125 . 1 . . . A 82 LYS N . 19431 1 954 . 1 1 83 83 TYR H H 1 8.735 0.007 . 1 . . . A 83 TYR H . 19431 1 955 . 1 1 83 83 TYR HA H 1 5.275 0.007 . 1 . . . A 83 TYR HA . 19431 1 956 . 1 1 83 83 TYR HB2 H 1 2.463 0.007 . 2 . . . A 83 TYR HB2 . 19431 1 957 . 1 1 83 83 TYR HB3 H 1 2.707 0.007 . 2 . . . A 83 TYR HB3 . 19431 1 958 . 1 1 83 83 TYR HD1 H 1 6.879 0.007 . 3 . . . A 83 TYR HD1 . 19431 1 959 . 1 1 83 83 TYR HD2 H 1 6.879 0.007 . 3 . . . A 83 TYR HD2 . 19431 1 960 . 1 1 83 83 TYR HE1 H 1 6.717 0.007 . 3 . . . A 83 TYR HE1 . 19431 1 961 . 1 1 83 83 TYR HE2 H 1 6.717 0.007 . 3 . . . A 83 TYR HE2 . 19431 1 962 . 1 1 83 83 TYR CA C 13 53.383 0.172 . 1 . . . A 83 TYR CA . 19431 1 963 . 1 1 83 83 TYR CB C 13 38.026 0.172 . 1 . . . A 83 TYR CB . 19431 1 964 . 1 1 83 83 TYR CD1 C 13 130.858 0.172 . 3 . . . A 83 TYR CD1 . 19431 1 965 . 1 1 83 83 TYR CD2 C 13 130.860 0.172 . 3 . . . A 83 TYR CD2 . 19431 1 966 . 1 1 83 83 TYR CE1 C 13 115.331 0.172 . 3 . . . A 83 TYR CE1 . 19431 1 967 . 1 1 83 83 TYR CE2 C 13 115.330 0.172 . 3 . . . A 83 TYR CE2 . 19431 1 968 . 1 1 83 83 TYR N N 15 118.176 0.125 . 1 . . . A 83 TYR N . 19431 1 969 . 1 1 84 84 GLY H H 1 8.082 0.007 . 1 . . . A 84 GLY H . 19431 1 970 . 1 1 84 84 GLY HA2 H 1 4.163 0.007 . 2 . . . A 84 GLY HA2 . 19431 1 971 . 1 1 84 84 GLY HA3 H 1 2.096 0.007 . 2 . . . A 84 GLY HA3 . 19431 1 972 . 1 1 84 84 GLY CA C 13 41.219 0.172 . 1 . . . A 84 GLY CA . 19431 1 973 . 1 1 84 84 GLY N N 15 111.686 0.125 . 1 . . . A 84 GLY N . 19431 1 974 . 1 1 85 85 GLY H H 1 8.518 0.007 . 1 . . . A 85 GLY H . 19431 1 975 . 1 1 85 85 GLY HA2 H 1 4.921 0.007 . 2 . . . A 85 GLY HA2 . 19431 1 976 . 1 1 85 85 GLY HA3 H 1 3.726 0.007 . 2 . . . A 85 GLY HA3 . 19431 1 977 . 1 1 85 85 GLY CA C 13 42.272 0.172 . 1 . . . A 85 GLY CA . 19431 1 978 . 1 1 85 85 GLY N N 15 111.232 0.125 . 1 . . . A 85 GLY N . 19431 1 979 . 1 1 86 86 VAL H H 1 8.617 0.007 . 1 . . . A 86 VAL H . 19431 1 980 . 1 1 86 86 VAL HA H 1 5.127 0.007 . 1 . . . A 86 VAL HA . 19431 1 981 . 1 1 86 86 VAL HB H 1 1.874 0.007 . 1 . . . A 86 VAL HB . 19431 1 982 . 1 1 86 86 VAL HG11 H 1 0.723 0.007 . 1 . . . A 86 VAL HG11 . 19431 1 983 . 1 1 86 86 VAL HG12 H 1 0.723 0.007 . 1 . . . A 86 VAL HG12 . 19431 1 984 . 1 1 86 86 VAL HG13 H 1 0.723 0.007 . 1 . . . A 86 VAL HG13 . 19431 1 985 . 1 1 86 86 VAL HG21 H 1 0.476 0.007 . 2 . . . A 86 VAL HG21 . 19431 1 986 . 1 1 86 86 VAL HG22 H 1 0.476 0.007 . 2 . . . A 86 VAL HG22 . 19431 1 987 . 1 1 86 86 VAL HG23 H 1 0.476 0.007 . 2 . . . A 86 VAL HG23 . 19431 1 988 . 1 1 86 86 VAL CA C 13 55.741 0.172 . 1 . . . A 86 VAL CA . 19431 1 989 . 1 1 86 86 VAL CB C 13 33.129 0.172 . 1 . . . A 86 VAL CB . 19431 1 990 . 1 1 86 86 VAL CG1 C 13 18.978 0.172 . 2 . . . A 86 VAL CG1 . 19431 1 991 . 1 1 86 86 VAL CG2 C 13 18.818 0.172 . 2 . . . A 86 VAL CG2 . 19431 1 992 . 1 1 86 86 VAL N N 15 115.256 0.125 . 1 . . . A 86 VAL N . 19431 1 993 . 1 1 87 87 ILE H H 1 8.486 0.007 . 1 . . . A 87 ILE H . 19431 1 994 . 1 1 87 87 ILE HA H 1 5.206 0.007 . 1 . . . A 87 ILE HA . 19431 1 995 . 1 1 87 87 ILE HB H 1 1.457 0.007 . 1 . . . A 87 ILE HB . 19431 1 996 . 1 1 87 87 ILE HG12 H 1 1.331 0.007 . 2 . . . A 87 ILE HG12 . 19431 1 997 . 1 1 87 87 ILE HG13 H 1 0.861 0.007 . 2 . . . A 87 ILE HG13 . 19431 1 998 . 1 1 87 87 ILE HG21 H 1 0.566 0.007 . 1 . . . A 87 ILE HG21 . 19431 1 999 . 1 1 87 87 ILE HG22 H 1 0.566 0.007 . 1 . . . A 87 ILE HG22 . 19431 1 1000 . 1 1 87 87 ILE HG23 H 1 0.566 0.007 . 1 . . . A 87 ILE HG23 . 19431 1 1001 . 1 1 87 87 ILE HD11 H 1 0.622 0.007 . 1 . . . A 87 ILE HD11 . 19431 1 1002 . 1 1 87 87 ILE HD12 H 1 0.622 0.007 . 1 . . . A 87 ILE HD12 . 19431 1 1003 . 1 1 87 87 ILE HD13 H 1 0.622 0.007 . 1 . . . A 87 ILE HD13 . 19431 1 1004 . 1 1 87 87 ILE CA C 13 57.168 0.172 . 1 . . . A 87 ILE CA . 19431 1 1005 . 1 1 87 87 ILE CB C 13 36.590 0.172 . 1 . . . A 87 ILE CB . 19431 1 1006 . 1 1 87 87 ILE CG1 C 13 24.227 0.172 . 1 . . . A 87 ILE CG1 . 19431 1 1007 . 1 1 87 87 ILE CG2 C 13 14.496 0.172 . 1 . . . A 87 ILE CG2 . 19431 1 1008 . 1 1 87 87 ILE CD1 C 13 11.055 0.172 . 1 . . . A 87 ILE CD1 . 19431 1 1009 . 1 1 87 87 ILE N N 15 125.124 0.125 . 1 . . . A 87 ILE N . 19431 1 1010 . 1 1 88 88 ILE H H 1 9.414 0.007 . 1 . . . A 88 ILE H . 19431 1 1011 . 1 1 88 88 ILE HA H 1 5.146 0.007 . 1 . . . A 88 ILE HA . 19431 1 1012 . 1 1 88 88 ILE HB H 1 1.462 0.007 . 1 . . . A 88 ILE HB . 19431 1 1013 . 1 1 88 88 ILE HG21 H 1 0.872 0.007 . 1 . . . A 88 ILE HG21 . 19431 1 1014 . 1 1 88 88 ILE HG22 H 1 0.872 0.007 . 1 . . . A 88 ILE HG22 . 19431 1 1015 . 1 1 88 88 ILE HG23 H 1 0.872 0.007 . 1 . . . A 88 ILE HG23 . 19431 1 1016 . 1 1 88 88 ILE HD11 H 1 0.597 0.007 . 1 . . . A 88 ILE HD11 . 19431 1 1017 . 1 1 88 88 ILE HD12 H 1 0.597 0.007 . 1 . . . A 88 ILE HD12 . 19431 1 1018 . 1 1 88 88 ILE HD13 H 1 0.597 0.007 . 1 . . . A 88 ILE HD13 . 19431 1 1019 . 1 1 88 88 ILE CA C 13 55.356 0.172 . 1 . . . A 88 ILE CA . 19431 1 1020 . 1 1 88 88 ILE CB C 13 39.847 0.172 . 1 . . . A 88 ILE CB . 19431 1 1021 . 1 1 88 88 ILE CG2 C 13 13.302 0.172 . 1 . . . A 88 ILE CG2 . 19431 1 1022 . 1 1 88 88 ILE CD1 C 13 12.011 0.172 . 1 . . . A 88 ILE CD1 . 19431 1 1023 . 1 1 88 88 ILE N N 15 128.056 0.125 . 1 . . . A 88 ILE N . 19431 1 1024 . 1 1 89 89 VAL H H 1 7.949 0.007 . 1 . . . A 89 VAL H . 19431 1 1025 . 1 1 89 89 VAL HA H 1 4.387 0.007 . 1 . . . A 89 VAL HA . 19431 1 1026 . 1 1 89 89 VAL HB H 1 1.979 0.007 . 1 . . . A 89 VAL HB . 19431 1 1027 . 1 1 89 89 VAL HG11 H 1 0.975 0.007 . 2 . . . A 89 VAL HG11 . 19431 1 1028 . 1 1 89 89 VAL HG12 H 1 0.975 0.007 . 2 . . . A 89 VAL HG12 . 19431 1 1029 . 1 1 89 89 VAL HG13 H 1 0.975 0.007 . 2 . . . A 89 VAL HG13 . 19431 1 1030 . 1 1 89 89 VAL HG21 H 1 0.780 0.007 . 1 . . . A 89 VAL HG21 . 19431 1 1031 . 1 1 89 89 VAL HG22 H 1 0.780 0.007 . 1 . . . A 89 VAL HG22 . 19431 1 1032 . 1 1 89 89 VAL HG23 H 1 0.780 0.007 . 1 . . . A 89 VAL HG23 . 19431 1 1033 . 1 1 89 89 VAL CA C 13 59.839 0.172 . 1 . . . A 89 VAL CA . 19431 1 1034 . 1 1 89 89 VAL CB C 13 30.295 0.172 . 1 . . . A 89 VAL CB . 19431 1 1035 . 1 1 89 89 VAL CG1 C 13 18.677 0.172 . 2 . . . A 89 VAL CG1 . 19431 1 1036 . 1 1 89 89 VAL CG2 C 13 18.397 0.172 . 2 . . . A 89 VAL CG2 . 19431 1 1037 . 1 1 89 89 VAL N N 15 128.326 0.125 . 1 . . . A 89 VAL N . 19431 1 1038 . 1 1 90 90 VAL H H 1 9.325 0.007 . 1 . . . A 90 VAL H . 19431 1 1039 . 1 1 90 90 VAL HA H 1 4.207 0.007 . 1 . . . A 90 VAL HA . 19431 1 1040 . 1 1 90 90 VAL HB H 1 2.211 0.007 . 1 . . . A 90 VAL HB . 19431 1 1041 . 1 1 90 90 VAL HG11 H 1 1.252 0.007 . 2 . . . A 90 VAL HG11 . 19431 1 1042 . 1 1 90 90 VAL HG12 H 1 1.252 0.007 . 2 . . . A 90 VAL HG12 . 19431 1 1043 . 1 1 90 90 VAL HG13 H 1 1.252 0.007 . 2 . . . A 90 VAL HG13 . 19431 1 1044 . 1 1 90 90 VAL HG21 H 1 0.413 0.007 . 2 . . . A 90 VAL HG21 . 19431 1 1045 . 1 1 90 90 VAL HG22 H 1 0.413 0.007 . 2 . . . A 90 VAL HG22 . 19431 1 1046 . 1 1 90 90 VAL HG23 H 1 0.413 0.007 . 2 . . . A 90 VAL HG23 . 19431 1 1047 . 1 1 90 90 VAL CA C 13 59.722 0.172 . 1 . . . A 90 VAL CA . 19431 1 1048 . 1 1 90 90 VAL CB C 13 31.537 0.172 . 1 . . . A 90 VAL CB . 19431 1 1049 . 1 1 90 90 VAL CG1 C 13 22.174 0.172 . 2 . . . A 90 VAL CG1 . 19431 1 1050 . 1 1 90 90 VAL CG2 C 13 19.246 0.172 . 2 . . . A 90 VAL CG2 . 19431 1 1051 . 1 1 90 90 VAL N N 15 128.738 0.125 . 1 . . . A 90 VAL N . 19431 1 1052 . 1 1 91 91 LYS H H 1 8.401 0.007 . 1 . . . A 91 LYS H . 19431 1 1053 . 1 1 91 91 LYS HA H 1 4.629 0.007 . 1 . . . A 91 LYS HA . 19431 1 1054 . 1 1 91 91 LYS HB2 H 1 1.484 0.007 . 1 . . . A 91 LYS HB2 . 19431 1 1055 . 1 1 91 91 LYS HB3 H 1 1.484 0.007 . 1 . . . A 91 LYS QB . 19431 1 1056 . 1 1 91 91 LYS HG2 H 1 1.137 0.007 . 2 . . . A 91 LYS HG2 . 19431 1 1057 . 1 1 91 91 LYS HG3 H 1 0.994 0.007 . 2 . . . A 91 LYS HG3 . 19431 1 1058 . 1 1 91 91 LYS HE2 H 1 2.662 0.007 . 2 . . . A 91 LYS HE2 . 19431 1 1059 . 1 1 91 91 LYS CA C 13 52.972 0.172 . 1 . . . A 91 LYS CA . 19431 1 1060 . 1 1 91 91 LYS CB C 13 30.789 0.172 . 1 . . . A 91 LYS CB . 19431 1 1061 . 1 1 91 91 LYS CG C 13 22.267 0.172 . 1 . . . A 91 LYS CG . 19431 1 1062 . 1 1 91 91 LYS CD C 13 25.159 0.172 . 1 . . . A 91 LYS CD . 19431 1 1063 . 1 1 91 91 LYS CE C 13 39.500 0.172 . 1 . . . A 91 LYS CE . 19431 1 1064 . 1 1 91 91 LYS N N 15 126.004 0.125 . 1 . . . A 91 LYS N . 19431 1 1065 . 1 1 92 92 TYR H H 1 8.349 0.007 . 1 . . . A 92 TYR H . 19431 1 1066 . 1 1 92 92 TYR HA H 1 4.940 0.007 . 1 . . . A 92 TYR HA . 19431 1 1067 . 1 1 92 92 TYR HB2 H 1 2.967 0.007 . 1 . . . A 92 TYR HB2 . 19431 1 1068 . 1 1 92 92 TYR HB3 H 1 2.967 0.007 . 1 . . . A 92 TYR QB . 19431 1 1069 . 1 1 92 92 TYR HD1 H 1 7.061 0.007 . 3 . . . A 92 TYR HD1 . 19431 1 1070 . 1 1 92 92 TYR HD2 H 1 7.061 0.007 . 3 . . . A 92 TYR HD2 . 19431 1 1071 . 1 1 92 92 TYR HE1 H 1 6.783 0.007 . 3 . . . A 92 TYR HE1 . 19431 1 1072 . 1 1 92 92 TYR HE2 H 1 6.783 0.007 . 3 . . . A 92 TYR HE2 . 19431 1 1073 . 1 1 92 92 TYR CA C 13 53.905 0.172 . 1 . . . A 92 TYR CA . 19431 1 1074 . 1 1 92 92 TYR CB C 13 39.331 0.172 . 1 . . . A 92 TYR CB . 19431 1 1075 . 1 1 92 92 TYR CD1 C 13 131.168 0.172 . 3 . . . A 92 TYR CD1 . 19431 1 1076 . 1 1 92 92 TYR CD2 C 13 131.170 0.172 . 3 . . . A 92 TYR CD2 . 19431 1 1077 . 1 1 92 92 TYR CE1 C 13 115.846 0.172 . 1 . . . A 92 TYR CE1 . 19431 1 1078 . 1 1 92 92 TYR CE2 C 13 115.850 0.172 . 3 . . . A 92 TYR CE2 . 19431 1 1079 . 1 1 92 92 TYR N N 15 123.932 0.125 . 1 . . . A 92 TYR N . 19431 1 1080 . 1 1 93 93 GLU H H 1 8.825 0.007 . 1 . . . A 93 GLU H . 19431 1 1081 . 1 1 93 93 GLU HA H 1 3.834 0.007 . 1 . . . A 93 GLU HA . 19431 1 1082 . 1 1 93 93 GLU HB2 H 1 2.242 0.007 . 2 . . . A 93 GLU HB2 . 19431 1 1083 . 1 1 93 93 GLU HB3 H 1 2.153 0.007 . 2 . . . A 93 GLU HB3 . 19431 1 1084 . 1 1 93 93 GLU HG2 H 1 2.337 0.007 . 1 . . . A 93 GLU HG2 . 19431 1 1085 . 1 1 93 93 GLU HG3 H 1 2.337 0.007 . 1 . . . A 93 GLU QG . 19431 1 1086 . 1 1 93 93 GLU CA C 13 57.465 0.172 . 1 . . . A 93 GLU CA . 19431 1 1087 . 1 1 93 93 GLU CB C 13 28.695 0.172 . 1 . . . A 93 GLU CB . 19431 1 1088 . 1 1 93 93 GLU CG C 13 33.601 0.172 . 1 . . . A 93 GLU CG . 19431 1 1089 . 1 1 93 93 GLU N N 15 122.195 0.125 . 1 . . . A 93 GLU N . 19431 1 1090 . 1 1 94 94 GLU H H 1 8.447 0.007 . 1 . . . A 94 GLU H . 19431 1 1091 . 1 1 94 94 GLU HA H 1 4.440 0.007 . 1 . . . A 94 GLU HA . 19431 1 1092 . 1 1 94 94 GLU HB2 H 1 1.597 0.007 . 2 . . . A 94 GLU HB2 . 19431 1 1093 . 1 1 94 94 GLU HB3 H 1 2.259 0.007 . 2 . . . A 94 GLU HB3 . 19431 1 1094 . 1 1 94 94 GLU HG2 H 1 2.241 0.007 . 2 . . . A 94 GLU HG2 . 19431 1 1095 . 1 1 94 94 GLU HG3 H 1 1.934 0.007 . 2 . . . A 94 GLU HG3 . 19431 1 1096 . 1 1 94 94 GLU CA C 13 52.555 0.172 . 1 . . . A 94 GLU CA . 19431 1 1097 . 1 1 94 94 GLU CB C 13 26.861 0.172 . 1 . . . A 94 GLU CB . 19431 1 1098 . 1 1 94 94 GLU CG C 13 32.604 0.172 . 1 . . . A 94 GLU CG . 19431 1 1099 . 1 1 94 94 GLU N N 15 110.219 0.125 . 1 . . . A 94 GLU N . 19431 1 1100 . 1 1 95 95 GLY H H 1 7.274 0.007 . 1 . . . A 95 GLY H . 19431 1 1101 . 1 1 95 95 GLY HA2 H 1 4.365 0.007 . 2 . . . A 95 GLY HA2 . 19431 1 1102 . 1 1 95 95 GLY HA3 H 1 3.784 0.007 . 2 . . . A 95 GLY HA3 . 19431 1 1103 . 1 1 95 95 GLY CA C 13 42.542 0.172 . 1 . . . A 95 GLY CA . 19431 1 1104 . 1 1 95 95 GLY N N 15 106.566 0.125 . 1 . . . A 95 GLY N . 19431 1 1105 . 1 1 96 96 ASN H H 1 8.342 0.007 . 1 . . . A 96 ASN H . 19431 1 1106 . 1 1 96 96 ASN HA H 1 5.720 0.007 . 1 . . . A 96 ASN HA . 19431 1 1107 . 1 1 96 96 ASN HB2 H 1 2.590 0.007 . 2 . . . A 96 ASN HB2 . 19431 1 1108 . 1 1 96 96 ASN HB3 H 1 2.425 0.007 . 2 . . . A 96 ASN HB3 . 19431 1 1109 . 1 1 96 96 ASN HD21 H 1 6.663 0.007 . 2 . . . A 96 ASN HD21 . 19431 1 1110 . 1 1 96 96 ASN HD22 H 1 7.296 0.007 . 2 . . . A 96 ASN HD22 . 19431 1 1111 . 1 1 96 96 ASN CA C 13 49.003 0.172 . 1 . . . A 96 ASN CA . 19431 1 1112 . 1 1 96 96 ASN CB C 13 37.602 0.172 . 1 . . . A 96 ASN CB . 19431 1 1113 . 1 1 96 96 ASN N N 15 116.707 0.125 . 1 . . . A 96 ASN N . 19431 1 1114 . 1 1 96 96 ASN ND2 N 15 110.649 0.125 . 1 . . . A 96 ASN ND2 . 19431 1 1115 . 1 1 97 97 VAL H H 1 9.356 0.007 . 1 . . . A 97 VAL H . 19431 1 1116 . 1 1 97 97 VAL HA H 1 4.117 0.007 . 1 . . . A 97 VAL HA . 19431 1 1117 . 1 1 97 97 VAL HB H 1 1.988 0.007 . 1 . . . A 97 VAL HB . 19431 1 1118 . 1 1 97 97 VAL HG11 H 1 0.383 0.007 . 2 . . . A 97 VAL HG11 . 19431 1 1119 . 1 1 97 97 VAL HG12 H 1 0.383 0.007 . 2 . . . A 97 VAL HG12 . 19431 1 1120 . 1 1 97 97 VAL HG13 H 1 0.383 0.007 . 2 . . . A 97 VAL HG13 . 19431 1 1121 . 1 1 97 97 VAL HG21 H 1 0.751 0.007 . 1 . . . A 97 VAL HG21 . 19431 1 1122 . 1 1 97 97 VAL HG22 H 1 0.751 0.007 . 1 . . . A 97 VAL HG22 . 19431 1 1123 . 1 1 97 97 VAL HG23 H 1 0.751 0.007 . 1 . . . A 97 VAL HG23 . 19431 1 1124 . 1 1 97 97 VAL CA C 13 58.404 0.172 . 1 . . . A 97 VAL CA . 19431 1 1125 . 1 1 97 97 VAL CB C 13 33.456 0.172 . 1 . . . A 97 VAL CB . 19431 1 1126 . 1 1 97 97 VAL CG1 C 13 18.878 0.172 . 2 . . . A 97 VAL CG1 . 19431 1 1127 . 1 1 97 97 VAL CG2 C 13 19.315 0.172 . 2 . . . A 97 VAL CG2 . 19431 1 1128 . 1 1 97 97 VAL N N 15 122.002 0.125 . 1 . . . A 97 VAL N . 19431 1 1129 . 1 1 98 98 ASN H H 1 8.688 0.007 . 1 . . . A 98 ASN H . 19431 1 1130 . 1 1 98 98 ASN HA H 1 5.135 0.007 . 1 . . . A 98 ASN HA . 19431 1 1131 . 1 1 98 98 ASN HB2 H 1 2.642 0.007 . 2 . . . A 98 ASN HB2 . 19431 1 1132 . 1 1 98 98 ASN HB3 H 1 2.043 0.007 . 2 . . . A 98 ASN HB3 . 19431 1 1133 . 1 1 98 98 ASN HD21 H 1 6.427 0.007 . 2 . . . A 98 ASN HD21 . 19431 1 1134 . 1 1 98 98 ASN HD22 H 1 7.234 0.007 . 2 . . . A 98 ASN HD22 . 19431 1 1135 . 1 1 98 98 ASN CA C 13 48.630 0.172 . 1 . . . A 98 ASN CA . 19431 1 1136 . 1 1 98 98 ASN CB C 13 36.031 0.172 . 1 . . . A 98 ASN CB . 19431 1 1137 . 1 1 98 98 ASN N N 15 124.376 0.125 . 1 . . . A 98 ASN N . 19431 1 1138 . 1 1 98 98 ASN ND2 N 15 111.506 0.125 . 1 . . . A 98 ASN ND2 . 19431 1 1139 . 1 1 99 99 TYR H H 1 8.795 0.007 . 1 . . . A 99 TYR H . 19431 1 1140 . 1 1 99 99 TYR HA H 1 4.640 0.007 . 1 . . . A 99 TYR HA . 19431 1 1141 . 1 1 99 99 TYR HB2 H 1 2.915 0.007 . 2 . . . A 99 TYR HB2 . 19431 1 1142 . 1 1 99 99 TYR HB3 H 1 2.366 0.007 . 2 . . . A 99 TYR HB3 . 19431 1 1143 . 1 1 99 99 TYR HD1 H 1 6.729 0.007 . 1 . . . A 99 TYR HD1 . 19431 1 1144 . 1 1 99 99 TYR HD2 H 1 6.729 0.007 . 1 . . . A 99 TYR HD2 . 19431 1 1145 . 1 1 99 99 TYR HE1 H 1 6.963 0.007 . 3 . . . A 99 TYR HE1 . 19431 1 1146 . 1 1 99 99 TYR HE2 H 1 6.963 0.007 . 3 . . . A 99 TYR HE2 . 19431 1 1147 . 1 1 99 99 TYR CA C 13 55.468 0.172 . 1 . . . A 99 TYR CA . 19431 1 1148 . 1 1 99 99 TYR CB C 13 38.122 0.172 . 1 . . . A 99 TYR CB . 19431 1 1149 . 1 1 99 99 TYR CD1 C 13 131.186 0.172 . 1 . . . A 99 TYR CD1 . 19431 1 1150 . 1 1 99 99 TYR CD2 C 13 131.190 0.172 . 3 . . . A 99 TYR CD2 . 19431 1 1151 . 1 1 99 99 TYR CE1 C 13 114.638 0.172 . 3 . . . A 99 TYR CE1 . 19431 1 1152 . 1 1 99 99 TYR CE2 C 13 114.640 0.172 . 3 . . . A 99 TYR CE2 . 19431 1 1153 . 1 1 99 99 TYR N N 15 123.932 0.125 . 1 . . . A 99 TYR N . 19431 1 1154 . 1 1 100 100 SER H H 1 8.757 0.007 . 1 . . . A 100 SER H . 19431 1 1155 . 1 1 100 100 SER HA H 1 5.242 0.007 . 1 . . . A 100 SER HA . 19431 1 1156 . 1 1 100 100 SER HB2 H 1 3.533 0.007 . 2 . . . A 100 SER HB2 . 19431 1 1157 . 1 1 100 100 SER HB3 H 1 3.461 0.007 . 2 . . . A 100 SER HB3 . 19431 1 1158 . 1 1 100 100 SER CA C 13 53.767 0.172 . 1 . . . A 100 SER CA . 19431 1 1159 . 1 1 100 100 SER CB C 13 60.649 0.172 . 1 . . . A 100 SER CB . 19431 1 1160 . 1 1 100 100 SER N N 15 115.327 0.125 . 1 . . . A 100 SER N . 19431 1 1161 . 1 1 101 101 LEU H H 1 8.876 0.007 . 1 . . . A 101 LEU H . 19431 1 1162 . 1 1 101 101 LEU HA H 1 4.978 0.007 . 1 . . . A 101 LEU HA . 19431 1 1163 . 1 1 101 101 LEU HB2 H 1 1.284 0.007 . 2 . . . A 101 LEU HB2 . 19431 1 1164 . 1 1 101 101 LEU HB3 H 1 1.401 0.007 . 2 . . . A 101 LEU HB3 . 19431 1 1165 . 1 1 101 101 LEU HG H 1 1.662 0.007 . 1 . . . A 101 LEU HG . 19431 1 1166 . 1 1 101 101 LEU HD11 H 1 1.022 0.007 . 2 . . . A 101 LEU HD11 . 19431 1 1167 . 1 1 101 101 LEU HD12 H 1 1.022 0.007 . 2 . . . A 101 LEU HD12 . 19431 1 1168 . 1 1 101 101 LEU HD13 H 1 1.022 0.007 . 2 . . . A 101 LEU HD13 . 19431 1 1169 . 1 1 101 101 LEU HD21 H 1 0.655 0.007 . 2 . . . A 101 LEU HD21 . 19431 1 1170 . 1 1 101 101 LEU HD22 H 1 0.655 0.007 . 2 . . . A 101 LEU HD22 . 19431 1 1171 . 1 1 101 101 LEU HD23 H 1 0.655 0.007 . 2 . . . A 101 LEU HD23 . 19431 1 1172 . 1 1 101 101 LEU CA C 13 51.756 0.172 . 1 . . . A 101 LEU CA . 19431 1 1173 . 1 1 101 101 LEU CB C 13 42.765 0.172 . 1 . . . A 101 LEU CB . 19431 1 1174 . 1 1 101 101 LEU CG C 13 27.589 0.172 . 1 . . . A 101 LEU CG . 19431 1 1175 . 1 1 101 101 LEU CD1 C 13 25.045 0.172 . 2 . . . A 101 LEU CD1 . 19431 1 1176 . 1 1 101 101 LEU CD2 C 13 22.992 0.172 . 2 . . . A 101 LEU CD2 . 19431 1 1177 . 1 1 101 101 LEU N N 15 130.521 0.125 . 1 . . . A 101 LEU N . 19431 1 1178 . 1 1 102 102 ALA H H 1 7.673 0.007 . 1 . . . A 102 ALA H . 19431 1 1179 . 1 1 102 102 ALA HA H 1 4.994 0.007 . 1 . . . A 102 ALA HA . 19431 1 1180 . 1 1 102 102 ALA HB1 H 1 0.956 0.007 . 1 . . . A 102 ALA HB1 . 19431 1 1181 . 1 1 102 102 ALA HB2 H 1 0.956 0.007 . 1 . . . A 102 ALA HB2 . 19431 1 1182 . 1 1 102 102 ALA HB3 H 1 0.956 0.007 . 1 . . . A 102 ALA HB3 . 19431 1 1183 . 1 1 102 102 ALA CA C 13 48.505 0.172 . 1 . . . A 102 ALA CA . 19431 1 1184 . 1 1 102 102 ALA CB C 13 19.355 0.172 . 1 . . . A 102 ALA CB . 19431 1 1185 . 1 1 102 102 ALA N N 15 121.373 0.125 . 1 . . . A 102 ALA N . 19431 1 1186 . 1 1 103 103 TYR H H 1 9.142 0.007 . 1 . . . A 103 TYR H . 19431 1 1187 . 1 1 103 103 TYR HA H 1 5.311 0.007 . 1 . . . A 103 TYR HA . 19431 1 1188 . 1 1 103 103 TYR HB2 H 1 3.645 0.007 . 2 . . . A 103 TYR HB2 . 19431 1 1189 . 1 1 103 103 TYR HB3 H 1 2.724 0.007 . 2 . . . A 103 TYR HB3 . 19431 1 1190 . 1 1 103 103 TYR HD1 H 1 7.061 0.007 . 3 . . . A 103 TYR HD1 . 19431 1 1191 . 1 1 103 103 TYR HD2 H 1 7.061 0.007 . 3 . . . A 103 TYR HD2 . 19431 1 1192 . 1 1 103 103 TYR HE1 H 1 6.340 0.007 . 1 . . . A 103 TYR HE1 . 19431 1 1193 . 1 1 103 103 TYR HE2 H 1 6.340 0.007 . 1 . . . A 103 TYR HE2 . 19431 1 1194 . 1 1 103 103 TYR CA C 13 55.519 0.172 . 1 . . . A 103 TYR CA . 19431 1 1195 . 1 1 103 103 TYR CB C 13 42.037 0.172 . 1 . . . A 103 TYR CB . 19431 1 1196 . 1 1 103 103 TYR CD1 C 13 127.951 0.172 . 3 . . . A 103 TYR CD1 . 19431 1 1197 . 1 1 103 103 TYR CD2 C 13 127.946 0.172 . 3 . . . A 103 TYR CD2 . 19431 1 1198 . 1 1 103 103 TYR CE1 C 13 114.840 0.172 . 3 . . . A 103 TYR CE1 . 19431 1 1199 . 1 1 103 103 TYR CE2 C 13 114.843 0.172 . 1 . . . A 103 TYR CE2 . 19431 1 1200 . 1 1 103 103 TYR N N 15 120.633 0.125 . 1 . . . A 103 TYR N . 19431 1 1201 . 1 1 104 104 ASP H H 1 8.803 0.007 . 1 . . . A 104 ASP H . 19431 1 1202 . 1 1 104 104 ASP HA H 1 5.163 0.007 . 1 . . . A 104 ASP HA . 19431 1 1203 . 1 1 104 104 ASP HB2 H 1 2.736 0.007 . 2 . . . A 104 ASP HB2 . 19431 1 1204 . 1 1 104 104 ASP HB3 H 1 3.496 0.007 . 2 . . . A 104 ASP HB3 . 19431 1 1205 . 1 1 104 104 ASP CA C 13 49.372 0.172 . 1 . . . A 104 ASP CA . 19431 1 1206 . 1 1 104 104 ASP CB C 13 39.054 0.172 . 1 . . . A 104 ASP CB . 19431 1 1207 . 1 1 104 104 ASP N N 15 118.129 0.125 . 1 . . . A 104 ASP N . 19431 1 1208 . 1 1 105 105 GLU H H 1 8.568 0.007 . 1 . . . A 105 GLU H . 19431 1 1209 . 1 1 105 105 GLU HA H 1 3.624 0.007 . 1 . . . A 105 GLU HA . 19431 1 1210 . 1 1 105 105 GLU HB2 H 1 1.792 0.007 . 2 . . . A 105 GLU HB2 . 19431 1 1211 . 1 1 105 105 GLU HB3 H 1 1.937 0.007 . 2 . . . A 105 GLU HB3 . 19431 1 1212 . 1 1 105 105 GLU HG2 H 1 2.021 0.007 . 2 . . . A 105 GLU HG2 . 19431 1 1213 . 1 1 105 105 GLU HG3 H 1 2.297 0.007 . 2 . . . A 105 GLU HG3 . 19431 1 1214 . 1 1 105 105 GLU CA C 13 55.976 0.172 . 1 . . . A 105 GLU CA . 19431 1 1215 . 1 1 105 105 GLU CB C 13 27.111 0.172 . 1 . . . A 105 GLU CB . 19431 1 1216 . 1 1 105 105 GLU CG C 13 34.669 0.172 . 1 . . . A 105 GLU CG . 19431 1 1217 . 1 1 105 105 GLU N N 15 115.031 0.125 . 1 . . . A 105 GLU N . 19431 1 1218 . 1 1 106 106 ASP H H 1 7.718 0.007 . 1 . . . A 106 ASP H . 19431 1 1219 . 1 1 106 106 ASP N N 15 119.038 0.125 . 1 . . . A 106 ASP N . 19431 1 1220 . 1 1 107 107 MET H H 1 8.686 0.007 . 1 . . . A 107 MET H . 19431 1 1221 . 1 1 107 107 MET HA H 1 4.343 0.007 . 1 . . . A 107 MET HA . 19431 1 1222 . 1 1 107 107 MET HB2 H 1 2.004 0.007 . 2 . . . A 107 MET HB2 . 19431 1 1223 . 1 1 107 107 MET HB3 H 1 2.228 0.007 . 2 . . . A 107 MET HB3 . 19431 1 1224 . 1 1 107 107 MET HG2 H 1 2.536 0.007 . 2 . . . A 107 MET HG2 . 19431 1 1225 . 1 1 107 107 MET HG3 H 1 2.147 0.007 . 2 . . . A 107 MET HG3 . 19431 1 1226 . 1 1 107 107 MET HE1 H 1 1.057 0.007 . 1 . . . A 107 MET HE1 . 19431 1 1227 . 1 1 107 107 MET HE2 H 1 1.057 0.007 . 1 . . . A 107 MET HE2 . 19431 1 1228 . 1 1 107 107 MET HE3 H 1 1.057 0.007 . 1 . . . A 107 MET HE3 . 19431 1 1229 . 1 1 107 107 MET CA C 13 51.671 0.172 . 1 . . . A 107 MET CA . 19431 1 1230 . 1 1 107 107 MET CB C 13 21.629 0.172 . 1 . . . A 107 MET CB . 19431 1 1231 . 1 1 107 107 MET CG C 13 28.404 0.172 . 1 . . . A 107 MET CG . 19431 1 1232 . 1 1 107 107 MET CE C 13 11.740 0.172 . 1 . . . A 107 MET CE . 19431 1 1233 . 1 1 107 107 MET N N 15 111.995 0.125 . 1 . . . A 107 MET N . 19431 1 1234 . 1 1 108 108 ASN H H 1 8.420 0.007 . 1 . . . A 108 ASN H . 19431 1 1235 . 1 1 108 108 ASN HA H 1 5.111 0.007 . 1 . . . A 108 ASN HA . 19431 1 1236 . 1 1 108 108 ASN HB2 H 1 2.793 0.007 . 2 . . . A 108 ASN HB2 . 19431 1 1237 . 1 1 108 108 ASN HB3 H 1 2.291 0.007 . 2 . . . A 108 ASN HB3 . 19431 1 1238 . 1 1 108 108 ASN HD21 H 1 6.951 0.007 . 2 . . . A 108 ASN HD21 . 19431 1 1239 . 1 1 108 108 ASN HD22 H 1 8.550 0.007 . 2 . . . A 108 ASN HD22 . 19431 1 1240 . 1 1 108 108 ASN CA C 13 49.519 0.172 . 1 . . . A 108 ASN CA . 19431 1 1241 . 1 1 108 108 ASN CB C 13 37.221 0.172 . 1 . . . A 108 ASN CB . 19431 1 1242 . 1 1 108 108 ASN N N 15 117.079 0.125 . 1 . . . A 108 ASN N . 19431 1 1243 . 1 1 108 108 ASN ND2 N 15 117.015 0.125 . 1 . . . A 108 ASN ND2 . 19431 1 1244 . 1 1 109 109 LEU H H 1 8.760 0.007 . 1 . . . A 109 LEU H . 19431 1 1245 . 1 1 109 109 LEU HA H 1 4.020 0.007 . 1 . . . A 109 LEU HA . 19431 1 1246 . 1 1 109 109 LEU HB2 H 1 0.244 0.007 . 2 . . . A 109 LEU HB2 . 19431 1 1247 . 1 1 109 109 LEU HB3 H 1 -0.003 0.007 . 2 . . . A 109 LEU HB3 . 19431 1 1248 . 1 1 109 109 LEU HG H 1 1.135 0.007 . 1 . . . A 109 LEU HG . 19431 1 1249 . 1 1 109 109 LEU HD11 H 1 0.342 0.007 . 1 . . . A 109 LEU HD11 . 19431 1 1250 . 1 1 109 109 LEU HD12 H 1 0.342 0.007 . 1 . . . A 109 LEU HD12 . 19431 1 1251 . 1 1 109 109 LEU HD13 H 1 0.342 0.007 . 1 . . . A 109 LEU HD13 . 19431 1 1252 . 1 1 109 109 LEU HD21 H 1 0.018 0.007 . 2 . . . A 109 LEU HD21 . 19431 1 1253 . 1 1 109 109 LEU HD22 H 1 0.018 0.007 . 2 . . . A 109 LEU HD22 . 19431 1 1254 . 1 1 109 109 LEU HD23 H 1 0.018 0.007 . 2 . . . A 109 LEU HD23 . 19431 1 1255 . 1 1 109 109 LEU CA C 13 52.898 0.172 . 1 . . . A 109 LEU CA . 19431 1 1256 . 1 1 109 109 LEU CB C 13 40.774 0.172 . 1 . . . A 109 LEU CB . 19431 1 1257 . 1 1 109 109 LEU CG C 13 23.850 0.172 . 1 . . . A 109 LEU CG . 19431 1 1258 . 1 1 109 109 LEU CD1 C 13 21.307 0.172 . 1 . . . A 109 LEU CD1 . 19431 1 1259 . 1 1 109 109 LEU CD2 C 13 23.639 0.172 . 1 . . . A 109 LEU CD2 . 19431 1 1260 . 1 1 109 109 LEU N N 15 122.211 0.125 . 1 . . . A 109 LEU N . 19431 1 1261 . 1 1 110 110 VAL H H 1 8.609 0.007 . 1 . . . A 110 VAL H . 19431 1 1262 . 1 1 110 110 VAL HA H 1 4.551 0.007 . 1 . . . A 110 VAL HA . 19431 1 1263 . 1 1 110 110 VAL HB H 1 1.918 0.007 . 1 . . . A 110 VAL HB . 19431 1 1264 . 1 1 110 110 VAL HG11 H 1 0.343 0.007 . 2 . . . A 110 VAL HG11 . 19431 1 1265 . 1 1 110 110 VAL HG12 H 1 0.343 0.007 . 2 . . . A 110 VAL HG12 . 19431 1 1266 . 1 1 110 110 VAL HG13 H 1 0.343 0.007 . 2 . . . A 110 VAL HG13 . 19431 1 1267 . 1 1 110 110 VAL HG21 H 1 0.900 0.007 . 2 . . . A 110 VAL HG21 . 19431 1 1268 . 1 1 110 110 VAL HG22 H 1 0.900 0.007 . 2 . . . A 110 VAL HG22 . 19431 1 1269 . 1 1 110 110 VAL HG23 H 1 0.900 0.007 . 2 . . . A 110 VAL HG23 . 19431 1 1270 . 1 1 110 110 VAL CA C 13 57.276 0.172 . 1 . . . A 110 VAL CA . 19431 1 1271 . 1 1 110 110 VAL CB C 13 30.242 0.172 . 1 . . . A 110 VAL CB . 19431 1 1272 . 1 1 110 110 VAL CG1 C 13 16.584 0.172 . 2 . . . A 110 VAL CG1 . 19431 1 1273 . 1 1 110 110 VAL CG2 C 13 19.388 0.172 . 2 . . . A 110 VAL CG2 . 19431 1 1274 . 1 1 110 110 VAL N N 15 109.806 0.125 . 1 . . . A 110 VAL N . 19431 1 1275 . 1 1 111 111 SER H H 1 7.191 0.007 . 1 . . . A 111 SER H . 19431 1 1276 . 1 1 111 111 SER HA H 1 4.476 0.007 . 1 . . . A 111 SER HA . 19431 1 1277 . 1 1 111 111 SER HB2 H 1 3.521 0.007 . 2 . . . A 111 SER HB2 . 19431 1 1278 . 1 1 111 111 SER HB3 H 1 3.588 0.007 . 2 . . . A 111 SER HB3 . 19431 1 1279 . 1 1 111 111 SER CA C 13 55.637 0.172 . 1 . . . A 111 SER CA . 19431 1 1280 . 1 1 111 111 SER CB C 13 61.288 0.172 . 1 . . . A 111 SER CB . 19431 1 1281 . 1 1 111 111 SER N N 15 113.487 0.125 . 1 . . . A 111 SER N . 19431 1 1282 . 1 1 112 112 PHE H H 1 8.770 0.007 . 1 . . . A 112 PHE H . 19431 1 1283 . 1 1 112 112 PHE HA H 1 4.991 0.007 . 1 . . . A 112 PHE HA . 19431 1 1284 . 1 1 112 112 PHE HB2 H 1 3.609 0.007 . 2 . . . A 112 PHE HB2 . 19431 1 1285 . 1 1 112 112 PHE HB3 H 1 2.865 0.007 . 2 . . . A 112 PHE HB3 . 19431 1 1286 . 1 1 112 112 PHE HD1 H 1 7.316 0.007 . 3 . . . A 112 PHE HD1 . 19431 1 1287 . 1 1 112 112 PHE HD2 H 1 7.316 0.007 . 3 . . . A 112 PHE HD2 . 19431 1 1288 . 1 1 112 112 PHE HE1 H 1 6.817 0.007 . 3 . . . A 112 PHE HE1 . 19431 1 1289 . 1 1 112 112 PHE HE2 H 1 6.817 0.007 . 3 . . . A 112 PHE HE2 . 19431 1 1290 . 1 1 112 112 PHE CA C 13 55.305 0.172 . 1 . . . A 112 PHE CA . 19431 1 1291 . 1 1 112 112 PHE CB C 13 40.128 0.172 . 1 . . . A 112 PHE CB . 19431 1 1292 . 1 1 112 112 PHE CD1 C 13 130.191 0.172 . 3 . . . A 112 PHE CD1 . 19431 1 1293 . 1 1 112 112 PHE CD2 C 13 130.190 0.172 . 3 . . . A 112 PHE CD2 . 19431 1 1294 . 1 1 112 112 PHE CE1 C 13 128.034 0.172 . 3 . . . A 112 PHE CE1 . 19431 1 1295 . 1 1 112 112 PHE CE2 C 13 128.030 0.172 . 3 . . . A 112 PHE CE2 . 19431 1 1296 . 1 1 112 112 PHE N N 15 126.988 0.125 . 1 . . . A 112 PHE N . 19431 1 1297 . 1 1 113 113 THR H H 1 8.675 0.007 . 1 . . . A 113 THR H . 19431 1 1298 . 1 1 113 113 THR HA H 1 4.775 0.007 . 1 . . . A 113 THR HA . 19431 1 1299 . 1 1 113 113 THR HB H 1 4.294 0.007 . 1 . . . A 113 THR HB . 19431 1 1300 . 1 1 113 113 THR HG21 H 1 1.169 0.007 . 1 . . . A 113 THR HG21 . 19431 1 1301 . 1 1 113 113 THR HG22 H 1 1.169 0.007 . 1 . . . A 113 THR HG22 . 19431 1 1302 . 1 1 113 113 THR HG23 H 1 1.169 0.007 . 1 . . . A 113 THR HG23 . 19431 1 1303 . 1 1 113 113 THR CA C 13 57.888 0.172 . 1 . . . A 113 THR CA . 19431 1 1304 . 1 1 113 113 THR CB C 13 69.193 0.172 . 1 . . . A 113 THR CB . 19431 1 1305 . 1 1 113 113 THR CG2 C 13 18.478 0.172 . 1 . . . A 113 THR CG2 . 19431 1 1306 . 1 1 113 113 THR N N 15 120.333 0.125 . 1 . . . A 113 THR N . 19431 1 1307 . 1 1 114 114 MET H H 1 7.847 0.007 . 1 . . . A 114 MET H . 19431 1 1308 . 1 1 114 114 MET HA H 1 4.380 0.007 . 1 . . . A 114 MET HA . 19431 1 1309 . 1 1 114 114 MET HB2 H 1 1.560 0.007 . 2 . . . A 114 MET HB2 . 19431 1 1310 . 1 1 114 114 MET HB3 H 1 1.648 0.007 . 2 . . . A 114 MET HB3 . 19431 1 1311 . 1 1 114 114 MET HG2 H 1 2.040 0.007 . 2 . . . A 114 MET HG2 . 19431 1 1312 . 1 1 114 114 MET HG3 H 1 2.077 0.007 . 2 . . . A 114 MET HG3 . 19431 1 1313 . 1 1 114 114 MET HE1 H 1 1.819 0.007 . 1 . . . A 114 MET HE1 . 19431 1 1314 . 1 1 114 114 MET HE2 H 1 1.819 0.007 . 1 . . . A 114 MET HE2 . 19431 1 1315 . 1 1 114 114 MET HE3 H 1 1.819 0.007 . 1 . . . A 114 MET HE3 . 19431 1 1316 . 1 1 114 114 MET CA C 13 53.861 0.172 . 1 . . . A 114 MET CA . 19431 1 1317 . 1 1 114 114 MET CB C 13 30.728 0.172 . 1 . . . A 114 MET CB . 19431 1 1318 . 1 1 114 114 MET CG C 13 29.195 0.172 . 1 . . . A 114 MET CG . 19431 1 1319 . 1 1 114 114 MET CE C 13 14.755 0.172 . 1 . . . A 114 MET CE . 19431 1 1320 . 1 1 114 114 MET N N 15 124.535 0.125 . 1 . . . A 114 MET N . 19431 1 stop_ save_